{ "version": { "version": "phase5-1.0.0", "date": "2026-10-26", "frozen_database_sha256": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6", "chemical_identities": 148, "profiles": 163, "relevant_profiles": 132, "preparations": 30, "observations": 80, "frozen_observations": 46, "new_observations": 34, "bioactivity_only_profiles": 21, "exact_PWWP_structural_profiles": 130, "verified_depictions": 139, "reconciled_duplicate_rows": 0, "candidate_records": 150, "curated_scope": "Documented targeted snapshot; not an exhaustive inventory of all literature compounds. Coordinate proximity and assay measurements are independent evidence dimensions." }, "filters": { "q": "", "protein": "", "domain": "", "bound": "", "pdb": "", "identity": "", "role": "", "method": "", "endpoint": "", "relation": "", "potency_min": "", "potency_max": "", "source": "", "year": "", "organism": "", "construct": "", "status": "", "missing": "", "scope": "relevant", "view": "unresolved", "sort": "" }, "compounds": [ { "aliases": [ "BI-9321", "[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine" ], "assay_count": 3, "associated_pdb_ids": [ "6G2O" ], "bound_structure_count": 1, "category": "Bioactivity + bound structure", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "classifications": [ "Reported chemical probe" ], "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "calculated_HBA": 4, "calculated_HBD": 1, "calculated_TPSA": 56.73, "calculated_formula": "C22H21FN4", "calculated_logP": 4.5169, "calculated_molecular_weight": 360.436, "computed_inchikey": "WOAOENGFAAUUGT-UHFFFAOYSA-N", "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement", "files": { "dark": "b3b05180c8514008d5a1-dark.svg", "light": "b3b05180c8514008d5a1-light.svg" }, "rdkit_version": "2025.09.3", "status": "verified_smiles_full_inchikey_match" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q9BZ95:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "NSD3" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine" ], "ccd_ids": [ "EJE" ], "ccd_names": "[\"[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "connectivity_block": "WOAOENGFAAUUGT", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"EJE\": 0}", "formulae": "[\"C22 H21 F N4\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "WOAOENGFAAUUGT-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN", "primary_name": "[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"EJE\": \"Cc1cc(cc(c1c2c(n(cn2)C)c3ccnc4c3ccc(c4)F)C)CN\"}", "source_metadata_sha256": "{\"EJE\": \"4420a58e1e2dc7985843e11811dec4d72c963f256b3f66eda18bde5db1f66e3c\"}", "source_urls": [ "https://www.rcsb.org/ligand/EJE" ] }, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "identity_resolved": true, "is_control": false, "is_probe": true, "measured_observation_count": 3, "name": "BI-9321", "negative_count": 0, "observation_ids": [ "PWWP:ASSAY:0008", "PWWP:ASSAY:0009", "PWWP5:ASSAY:0001" ], "pdb_structure_count": 1, "preparation_count": 1, "preparation_ids": [ "PREP:BI-9321" ], "protein_ids": [ "UP:Q9BZ95" ], "relationships": [ { "direction": "inverse", "object_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "object_preparation_id": "PREP:BI-9321", "original_object_id": "PREP:BI-9321", "original_subject_id": "PREP:BI-9466", "predicate": "negative_control_for", "relationship": "has negative control for", "relationship_id": "P5:REL:BI-9466", "retrieval_date": "2026-10-26", "scope": "weaker NSD3-PWWP1 antagonist control", "source_id": "P5:S:SGC_BI9321", "source_url": "https://www.thesgc.org/chemical-probes/bi-9321", "subject_id": "INCHIKEY:SFZHMKDAVPIXRB-UHFFFAOYSA-N", "subject_preparation_id": "PREP:BI-9466", "version": "phase5.chemical_curation.1.1.0" } ], "relevant": true, "search_text": "bi-9321 inchikey:woaoengfaauugt-uhfffaoysa-n bi-9321 [4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine nsd3 up:q9bz95:pwwp1 6g2o {\"aliases\":[\"[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine\"],\"ccd_ids\":[\"eje\"],\"ccd_names\":\"[\\\"[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:woaoengfaauugt-uhfffaoysa-n\",\"connectivity_block\":\"woaoengfaauugt\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"eje\\\": 0}\",\"formulae\":\"[\\\"c22 h21 f n4\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"woaoengfaauugt-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"cc1cc(cc(c1c2c(n(cn2)c)c3ccnc4c3ccc(c4)f)c)cn\",\"primary_name\":\"[4-[5-(7-fluoranylquinolin-4-yl)-1-methyl-imidazol-4-yl]-3,5-dimethyl-phenyl]methanamine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"eje\\\": \\\"cc1cc(cc(c1c2c(n(cn2)c)c3ccnc4c3ccc(c4)f)c)cn\\\"}\",\"source_metadata_sha256\":\"{\\\"eje\\\": \\\"4420a58e1e2dc7985843e11811dec4d72c963f256b3f66eda18bde5db1f66e3c\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/eje\"]} pmid:31285596 2019 https://www.thesgc.org/chemical-probes/bi-9321 pmid:31285596 2019 https://www.thesgc.org/chemical-probes/bi-9321 pmid:34469831 2022 https://pmc.ncbi.nlm.nih.gov/articles/pmc8882712/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "https://www.rcsb.org/ligand/EJE", "https://www.thesgc.org/chemical-probes/bi-9321" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.166, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2019, "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S03", "source_measurement_key": "09598b542f0dc314439f97e8ea6488765d93a05cb048a2b61c638f7b75a77149", "source_original": { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_id": "S03", "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0009", "assay_type": "NanoBRET IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": "{\"cell_line\": \"U2OS\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "cellular_interaction_response", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": null, "is_measured": true, "is_negative": false, "method": "NanoBRET", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.2, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2019, "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.", "replicates": "3 independent replicates (Figure 4e; also Supplementary Table 7)", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S03", "source_measurement_key": "d81f07907c62c71d3be8efb70d36d0f87a02e504c926113d8e3f019f1e1a7478", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0009", "assay_type": "NanoBRET IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "BI-9321", "conditions": "{\"cell_line\": \"U2OS\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "cellular_interaction_response", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": null, "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.", "replicates": "3 independent replicates (Figure 4e; also Supplementary Table 7)", "role": "reported_chemical_probe", "source_component_url": null, "source_id": "S03", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SD", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_developer_assay_report_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SD", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_developer_assay_report_verified" }, { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0001", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "ITC", "normalized_exact_uM": 1.7, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "7a5643332d9884d1ebb0e010bd63f15485c8df4e1297f1a9aeeeea672f48b98f", "source_original": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0001", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_id": "P5:S:XU2022", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "1.7", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "temperature_C": 15, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "units": "µM", "value": 1.7, "value_operator": "=", "value_uM": 1.7, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "1.7", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "domain_specific", "temperature_C": 15, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "units": "µM", "value": 1.7, "value_operator": "=", "value_uM": 1.7, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"VAL\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7836, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3221, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6453, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3868, \"uniprot_position\": 284}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5405, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"SER\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8197, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1952, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9728, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6711, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0668, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"363\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5282, \"uniprot_position\": 363}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"364\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6582, \"uniprot_position\": 364}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"367\", \"component\": \"GLN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8252, \"uniprot_position\": 367}]", "biochemical_activity_inferred": 0, "ccd_id": "EJE", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"VAL\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7836, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3221, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6453, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3868, \"uniprot_position\": 284}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5405, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"SER\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8197, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1952, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9728, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6711, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0668, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"363\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5282, \"uniprot_position\": 363}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"364\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6582, \"uniprot_position\": 364}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"367\", \"component\": \"GLN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8252, \"uniprot_position\": 367}]", "chain_id": "PDB:6G2O:CHAIN:A:UP:Q9BZ95", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"VAL\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7836, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3221, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6453, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3868, \"uniprot_position\": 284}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5405, \"uniprot_position\": 312}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"SER\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8197, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1952, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9728, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6711, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0668, \"uniprot_position\": 320}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP1", "exact_pwwp_contact": true, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "EJE", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 136, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 27, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:6G2O:LIG:B:EJE:401:.", "nearest_polypeptide_distance_angstrom": 2.8197, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6G2O", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"VAL\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7836, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3221, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6453, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3868, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"312\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5405, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"SER\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8197, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1952, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9728, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6711, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0668, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"363\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5282, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"364\", \"component\": \"GLU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6582, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"367\", \"component\": \"GLN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8252, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Co-Crystals/6G2O/original.cif", "source_coordinate_sha256": "74d2d63c67c68d75cd98a65a67771b43791e1d61b52c6fd985805899f9c8ecfa", "unique_heavy_atom_names": 27 }, "ligand_instance_id": "PDB:6G2O:LIG:B:EJE:401:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.8197, "minimum_chain_distance_angstrom": 2.8197, "minimum_core_distance_angstrom": 2.8197, "multiple_contacting_mapped_chains": 0, "pdb_id": "6G2O", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally studied ligand", "role_category": "functional", "site_id": "PDB:6G2O:LIG:B:EJE:401:.:SITE:UP:Q9BZ95:PWWP1:A", "source_coordinate_sha256": "74d2d63c67c68d75cd98a65a67771b43791e1d61b52c6fd985805899f9c8ecfa" } ], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": true, "context_bioactivity_only": false, "context_kind": "Measured + bound structure", "science": { "studied_compound": true, "measured_count": 3, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": true, "reported_control": false, "cellular_activity": true, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 1, "unknown_site_count": 0, "annotation_roles": [ "studied", "structural", "unresolved" ] }, "science_label": "Studied + deposited research ligand", "science_profile": { "annotation_roles": [ "studied", "structural", "unresolved" ], "cellular_activity": true, "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 3, "name": "BI-9321", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": true, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0001", "PWWP:ASSAY:0008", "PWWP:ASSAY:0009" ], "source_site_ids": [ "PDB:6G2O:LIG:B:EJE:401:.:SITE:UP:Q9BZ95:PWWP1:A" ], "structural_research_ligand": true, "structural_research_site_count": 1, "studied_compound": true, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:6G2O:LIG:B:EJE:401:.:SITE:UP:Q9BZ95:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/EJE", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74d2d63c67c68d75cd98a65a67771b43791e1d61b52c6fd985805899f9c8ecfa", "domain_id": "UP:Q9BZ95:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6G2O:LIG:B:EJE:401:.", "observed_other_component": false, "pdb_id": "6G2O", "protein_id": "UP:Q9BZ95", "role_code": "reported_studied_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6G2O:LIG:B:EJE:401:.:SITE:UP:Q9BZ95:PWWP1:A", "source_role": "experimentally studied ligand", "source_url": "https://www.rcsb.org/structure/6G2O", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": { "PWWP:ASSAY:0008": { "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0008", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "reported_cellular": false, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S03", "source_location": "SGC probe developer report: Overview", "source_role": "reported_chemical_probe", "source_url": "https://www.thesgc.org/chemical-probes/bi-9321", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 166.0, "verification_status": "primary_developer_assay_report_verified" }, "PWWP:ASSAY:0009": { "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "IC50", "evidence_type": "cellular_activity", "explicitly_negative": false, "measured": true, "method": "NanoBRET", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0009", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.", "reported_cellular": true, "reported_control": false, "reported_probe": true, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S03", "source_location": "SGC probe developer report: Overview", "source_role": "reported_chemical_probe", "source_url": "https://www.thesgc.org/chemical-probes/bi-9321", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.2, "verification_status": "primary_developer_assay_report_verified" }, "PWWP5:ASSAY:0001": { "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "ITC", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0001", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:XU2022", "source_location": "Results and Figure 2B-D; STAR Methods: ITC", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.7, "verification_status": "primary_source_verified" } }, "example": { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.166, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2019, "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S03", "source_measurement_key": "09598b542f0dc314439f97e8ea6488765d93a05cb048a2b61c638f7b75a77149", "source_original": { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_id": "S03", "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, "matched_observations": [ { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.166, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2019, "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S03", "source_measurement_key": "09598b542f0dc314439f97e8ea6488765d93a05cb048a2b61c638f7b75a77149", "source_original": { "DMSO_percent": 2.0, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP:ASSAY:0008", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "50 mM Tris; 150 mM NaCl; 1 mM TCEP; 0.005% Tween-20; 2% DMSO", "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "BI-9321", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": "Primary developer website; original full article assay table was not retrieved.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 8.0, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.", "replicates": "3 independent experiments (Figure 3a); 4 (Supplementary Table 7); unresolved source discrepancy", "role": "reported_chemical_probe", "source_component_url": null, "source_id": "S03", "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, "source_reported_uncertainty": "3.0", "source_reported_units": "nM", "source_reported_value": "166", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 3.0, "uncertainty_type": "SD", "uncertainty_uM": 0.003, "unit_conversion": null, "units": "nM", "value": 166.0, "value_operator": "=", "value_uM": 0.166, "verification_level": "primary_developer_assay_report_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0009", "assay_type": "NanoBRET IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": "{\"cell_line\": \"U2OS\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "cellular_interaction_response", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": null, "is_measured": true, "is_negative": false, "method": "NanoBRET", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.2, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2019, "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.", "replicates": "3 independent replicates (Figure 4e; also Supplementary Table 7)", "role": "reported_chemical_probe", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S03", "source_measurement_key": "d81f07907c62c71d3be8efb70d36d0f87a02e504c926113d8e3f019f1e1a7478", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0009", "assay_type": "NanoBRET IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": "EJE", "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json", "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "chemical_identity_status": "exact_single_CCD_identity", "component_context": null, "compound_name": "BI-9321", "conditions": "{\"cell_line\": \"U2OS\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "cellular_interaction_response", "evidence_location": "SGC probe developer report: Overview", "evidence_url": "https://www.thesgc.org/chemical-probes/bi-9321", "gene": "NSD3", "interpretation": null, "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "6G2O", "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:31285596", "remaining_uncertainty": "The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.", "replicates": "3 independent replicates (Figure 4e; also Supplementary Table 7)", "role": "reported_chemical_probe", "source_component_url": null, "source_id": "S03", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SD", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_developer_assay_report_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "Phase 3 actual publisher Supplementary Table 7 and official Figure 3/4 captions; selected indexed accepted-manuscript Methods, full PDF unavailable (403); developer identity page", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SD", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_developer_assay_report_verified" }, { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0001", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "ITC", "normalized_exact_uM": 1.7, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "7a5643332d9884d1ebb0e010bd63f15485c8df4e1297f1a9aeeeea672f48b98f", "source_original": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0001", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": "INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N", "compound_name": "BI-9321", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:BI-9321", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "experimentally_studied_ligand", "source_id": "P5:S:XU2022", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "1.7", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "temperature_C": 15, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "units": "µM", "value": 1.7, "value_operator": "=", "value_uM": 1.7, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "1.7", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "domain_specific", "temperature_C": 15, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "units": "µM", "value": 1.7, "value_operator": "=", "value_uM": 1.7, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 3 }, { "aliases": [ "compound 1 (de Freitas 2021)" ], "assay_count": 2, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:DEFREITAS2021_1", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "The source describes two stereocenters, one diastereoisomer and equipotent enantiomers. The measured preparation is retained without assigning an exact enantiomeric identity or composition.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 2, "name": "compound 1 (de Freitas 2021)", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0033", "PWWP5:ASSAY:0034" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:DEFREITAS2021_1" ], "protein_ids": [ "UP:O96028" ], "relationships": [], "relevant": true, "search_text": "compound 1 (de freitas 2021) prep:defreitas2021_1 compound 1 (de freitas 2021) nsd2 up:o96028:pwwp1 {} pmid:33522809 2021 https://pmc.ncbi.nlm.nih.gov/articles/pmc8130708/ pmid:33522809 2021 https://pmc.ncbi.nlm.nih.gov/articles/pmc8130708/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 41, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:DEFREITAS2021", "source_measurement_key": "b8fc2790a7cda345aeb080652dbba0419f4d3384a18fb1987e2f558312405821", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_id": "P5:S:DEFREITAS2021", "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "target_scope": "domain_specific", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0034", "assay_type": "Reverse ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "compound_name": "compound 1 (de Freitas 2021)", "conditions": { "compound_cell_concentration_uM": 40, "protein_syringe_concentration_mM": 1, "reverse_titration_reason": "Limited compound solubility", "titration_direction": "Protein into compound" }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1b", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Reverse ITC", "normalized_exact_uM": 8.9, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:DEFREITAS2021", "source_measurement_key": "b43248500c966457ac975a43df614edac3d718ef2ef1a40cf66872401b559d26", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0034", "assay_type": "Reverse ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "compound 1 (de Freitas 2021)", "conditions": { "compound_cell_concentration_uM": 40, "protein_syringe_concentration_mM": 1, "reverse_titration_reason": "Limited compound solubility", "titration_direction": "Protein into compound" }, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1b", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_id": "P5:S:DEFREITAS2021", "source_reported_uncertainty": null, "source_reported_units": "µM", "source_reported_value": "8.9", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "µM", "value": 8.9, "value_operator": "=", "value_uM": 8.9, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": "µM", "source_reported_value": "8.9", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "target_scope": "domain_specific", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "µM", "value": 8.9, "value_operator": "=", "value_uM": 8.9, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 2, "context_measured_count": 2, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 2, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 2, "name": "compound 1 (de Freitas 2021)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0033", "PWWP5:ASSAY:0034" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 2, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0033": { "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0033", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:DEFREITAS2021", "source_location": "Results; Figure S1a", "source_role": "fragment_hit", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 41, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0034": { "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "Reverse ITC", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0034", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:DEFREITAS2021", "source_location": "Results; Figure S1b", "source_role": "fragment_hit", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 8.9, "verification_status": "primary_source_verified" } }, "example": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 41, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:DEFREITAS2021", "source_measurement_key": "b8fc2790a7cda345aeb080652dbba0419f4d3384a18fb1987e2f558312405821", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_id": "P5:S:DEFREITAS2021", "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "target_scope": "domain_specific", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 41, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:DEFREITAS2021", "source_measurement_key": "b8fc2790a7cda345aeb080652dbba0419f4d3384a18fb1987e2f558312405821", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0033", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "compound 1 (de Freitas 2021)", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1a", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "Source text directly reports preparation and Kd ± uncertainty; supplementary figure and compound-1-specific buffer/construct/statistic not independently recovered. The SPR Methods paragraph explicitly names 3f, so its conditions are not copied to compound 1.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_id": "P5:S:DEFREITAS2021", "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "8", "source_reported_units": "µM", "source_reported_value": "41", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "target_scope": "domain_specific", "uncertainty": 8, "uncertainty_type": null, "uncertainty_uM": 8, "units": "µM", "value": 41, "value_operator": "=", "value_uM": 41, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0034", "assay_type": "Reverse ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:DEFREITAS2021_1", "compound_name": "compound 1 (de Freitas 2021)", "conditions": { "compound_cell_concentration_uM": 40, "protein_syringe_concentration_mM": 1, "reverse_titration_reason": "Limited compound solubility", "titration_direction": "Protein into compound" }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1b", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Reverse ITC", "normalized_exact_uM": 8.9, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:DEFREITAS2021", "source_measurement_key": "b43248500c966457ac975a43df614edac3d718ef2ef1a40cf66872401b559d26", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0034", "assay_type": "Reverse ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "compound 1 (de Freitas 2021)", "conditions": { "compound_cell_concentration_uM": 40, "protein_syringe_concentration_mM": 1, "reverse_titration_reason": "Limited compound solubility", "titration_direction": "Protein into compound" }, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results; Figure S1b", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8130708/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:DEFREITAS2021_1", "protein_id": "UP:O96028", "publication_year": 2021, "reference_id": "PMID:33522809", "remaining_uncertainty": "No uncertainty, replicate count or exact stereochemical assignment inferred from the primary Results value. A distinct reverse-ITC experiment is retained separately from SPR.", "replicates": null, "retrieval_date": "2026-10-26", "role": "fragment_hit", "source_id": "P5:S:DEFREITAS2021", "source_reported_uncertainty": null, "source_reported_units": "µM", "source_reported_value": "8.9", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "µM", "value": 8.9, "value_operator": "=", "value_uM": 8.9, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": "µM", "source_reported_value": "8.9", "source_verification_scope": "NCBI BioC primary full text; Results, SPR Methods and figure captions; supplementary numerical figure images not independently retrieved", "target_scope": "domain_specific", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "µM", "value": 8.9, "value_operator": "=", "value_uM": 8.9, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 2 }, { "aliases": [ "compound 11 (Collie 2025)" ], "assay_count": 3, "associated_pdb_ids": [ "9FOC" ], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_11", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 3, "name": "compound 11 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0018", "PWWP:ASSAY:0025", "PWWP11:ASSAY:0005" ], "pdb_structure_count": 1, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_11" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [ { "object_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N", "original_object_id": "INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N", "original_subject_id": "PREP:COLLIE2025_11", "relationship": "modeled_candidate_not_exact_identity", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "source_url": "https://www.rcsb.org/structure/9FOC", "subject_id": "PREP:COLLIE2025_11" }, { "object_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "original_object_id": "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N", "original_subject_id": "PREP:COLLIE2025_11", "relationship": "modeled_candidate_not_exact_identity", "scope": "Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.", "source_url": "https://www.rcsb.org/structure/9FOC", "subject_id": "PREP:COLLIE2025_11" } ], "relevant": true, "search_text": "compound 11 (collie 2025) prep:collie2025_11 compound 11 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 9foc {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.02, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "a2efd0de5fed6d1834146748ce9691a31a8d57e962d5eaac2a795e9fe4e2a104", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0025", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.3, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "e8e0e805c88075c8ef5c31c75f2588c2a9b47a25495c6fb85903b02e595c5413", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0025", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0005", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "9eda321eee2ca0f143129d5ce36dd5041ce74c3f4ba93ab356bd704bbcb0223d", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0005", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "context_structures": [], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 0, "context_pdb_count": 1, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 3, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_11", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 3, "name": "compound 11 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0025", "PWWP:ASSAY:0018", "PWWP11:ASSAY:0005" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0018": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_11", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0018", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.02, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0025": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_11", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0025", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 2.3, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0005": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_11", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "negative_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0005", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.02, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "a2efd0de5fed6d1834146748ce9691a31a8d57e962d5eaac2a795e9fe4e2a104", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, "matched_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.02, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "a2efd0de5fed6d1834146748ce9691a31a8d57e962d5eaac2a795e9fe4e2a104", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.19", "source_reported_units": "µM", "source_reported_value": "1.02", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.19, "uncertainty_type": "SD", "uncertainty_uM": 0.19, "unit_conversion": null, "units": "µM", "value": 1.02, "value_operator": "=", "value_uM": 1.02, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0025", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.3, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "e8e0e805c88075c8ef5c31c75f2588c2a9b47a25495c6fb85903b02e595c5413", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0025", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": "[\"A1IFS\", \"A1IEG\"]", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded. Compound 11 is the assayed preparation; 9FOC models two stereoisomer CCDs. Do not assign the aggregate affinity separately to each pure stereoisomer.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": "9FOC", "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.3", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.3, "value_operator": "=", "value_uM": 2.3, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0005", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_11", "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "9eda321eee2ca0f143129d5ce36dd5041ce74c3f4ba93ab356bd704bbcb0223d", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0005", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 11 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_11", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "matched_assay_count": 3 }, { "aliases": [ "compound 12 (Collie 2025)" ], "assay_count": 4, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_12", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Separated compound 11 fraction labelled isomer 1; retention time 7.1 min, reported dr 98.84:1.16. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 4, "name": "compound 12 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0019", "PWWP:ASSAY:0026", "PWWP:ASSAY:0030", "PWWP11:ASSAY:0006" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_12" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 12 (collie 2025) prep:collie2025_12 compound 12 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.47, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8442401810e2aadfd1665c5eeea0277dbdac22d53576edb61b197394a72568dc", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0026", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.8, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "3747269f70111634bc31760ab463eec7d1644c36b4408103f7b1337719cdf35b", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0026", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0030", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.49, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "edb1b4f2fa51ca1df4aecb66a6dde772f29a106cce6a990d2930ae517b34b653", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0030", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "2.49", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 2.49, "value_operator": "=", "value_uM": 2.49, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "2.49", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 2.49, "value_operator": "=", "value_uM": 2.49, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0006", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "aea2503525ad2d895076f094980a1f4a40bcaa3d8c953caa5f9e743fb1824faf", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0006", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "context_structures": [], "context_assay_count": 4, "context_measured_count": 4, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 4, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_12", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 4, "name": "compound 12 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0026", "PWWP:ASSAY:0019", "PWWP11:ASSAY:0006", "PWWP:ASSAY:0030" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 4, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0019": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_12", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0019", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.47, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0026": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_12", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0026", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 2.8, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0030": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_12", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "evidence_type": "biochemical_function", "explicitly_negative": false, "measured": true, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0030", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 2.49, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0006": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_12", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "negative_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0006", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.47, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8442401810e2aadfd1665c5eeea0277dbdac22d53576edb61b197394a72568dc", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "matched_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.47, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8442401810e2aadfd1665c5eeea0277dbdac22d53576edb61b197394a72568dc", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0019", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.13", "source_reported_units": "µM", "source_reported_value": "1.47", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.13, "uncertainty_type": "SD", "uncertainty_uM": 0.13, "unit_conversion": null, "units": "µM", "value": 1.47, "value_operator": "=", "value_uM": 1.47, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0026", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.8, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "3747269f70111634bc31760ab463eec7d1644c36b4408103f7b1337719cdf35b", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0026", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.31", "source_reported_units": "µM", "source_reported_value": "2.8", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.31, "uncertainty_type": "SD", "uncertainty_uM": 0.31, "unit_conversion": null, "units": "µM", "value": 2.8, "value_operator": "=", "value_uM": 2.8, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0030", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 2.49, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "edb1b4f2fa51ca1df4aecb66a6dde772f29a106cce6a990d2930ae517b34b653", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0030", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "2.49", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 2.49, "value_operator": "=", "value_uM": 2.49, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "2.49", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 2.49, "value_operator": "=", "value_uM": 2.49, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0006", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_12", "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "aea2503525ad2d895076f094980a1f4a40bcaa3d8c953caa5f9e743fb1824faf", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0006", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 12 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_12", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "matched_assay_count": 4 }, { "aliases": [ "compound 13 (Collie 2025)" ], "assay_count": 4, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_13", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Separated compound 11 fraction labelled isomer 2; retention time 8.2 min, reported dr 97.10:2.90. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 4, "name": "compound 13 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0020", "PWWP:ASSAY:0027", "PWWP:ASSAY:0031", "PWWP11:ASSAY:0007" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_13" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 13 (collie 2025) prep:collie2025_13 compound 13 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.75, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0027", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.52, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "23dff55b7536c9d14f9e3fdd76f3c65682b87c47dfefba76a8520ced61390d22", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0027", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0031", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.31, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "48275fd9fdea6ff27fae10557702a222d347e90ef5e2116d97636f5b848d58cc", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0031", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0007", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "90656979dac17e2b041d234cb37443263e687f28dc11a9475b24db6fafad2e6e", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0007", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "context_structures": [], "context_assay_count": 4, "context_measured_count": 4, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 4, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 4, "name": "compound 13 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0027", "PWWP:ASSAY:0020", "PWWP11:ASSAY:0007", "PWWP:ASSAY:0031" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 4, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0020": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0020", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 0.75, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0027": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0027", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.52, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0031": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "evidence_type": "biochemical_function", "explicitly_negative": false, "measured": true, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0031", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.31, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0007": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_13", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "negative_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0007", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.75, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, "matched_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.75, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "8e607bd0772fa5b5408e9caa6c2b03b268a75ebc751a734da6ceeffaae7a9b25", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0020", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.04", "source_reported_units": "µM", "source_reported_value": "0.75", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.04, "uncertainty_type": "SD", "uncertainty_uM": 0.04, "unit_conversion": null, "units": "µM", "value": 0.75, "value_operator": "=", "value_uM": 0.75, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0027", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.52, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "23dff55b7536c9d14f9e3fdd76f3c65682b87c47dfefba76a8520ced61390d22", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0027", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.05", "source_reported_units": "µM", "source_reported_value": "1.52", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.05, "uncertainty_type": "SD", "uncertainty_uM": 0.05, "unit_conversion": null, "units": "µM", "value": 1.52, "value_operator": "=", "value_uM": 1.52, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0031", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.31, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "48275fd9fdea6ff27fae10557702a222d347e90ef5e2116d97636f5b848d58cc", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0031", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "at least 3", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.06", "source_reported_units": "µM", "source_reported_value": "1.31", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.06, "uncertainty_type": "SEM", "uncertainty_uM": 0.06, "unit_conversion": null, "units": "µM", "value": 1.31, "value_operator": "=", "value_uM": 1.31, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0007", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_13", "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "90656979dac17e2b041d234cb37443263e687f28dc11a9475b24db6fafad2e6e", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0007", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 13 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "negative_binding_test", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_13", "protein_id": "UP:Q9BZ95", "qualitative_result": "No binding", "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "matched_assay_count": 4 }, { "aliases": [ "compound 5 (Collie 2025)" ], "assay_count": 3, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_5", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Racemate 5 is distinct from separated enantiomers 6 and 7.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 3, "name": "compound 5 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0015", "PWWP:ASSAY:0022", "PWWP11:ASSAY:0002" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_5" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 5 (collie 2025) prep:collie2025_5 compound 5 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.16, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "c2222578a2669d40ebd82f33e899309ed02efcfc833d55e8db616154da072745", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0022", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.92, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "310738da464ce28b8d7b6bce347d322fa5e018fdeae7ba502bb4ddea4f656d63", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0022", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.92", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.92, "value_operator": "=", "value_uM": 0.92, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.92", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.92, "value_operator": "=", "value_uM": 0.92, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0002", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "5ae7180872e308784d9f0405d019dfa7b802c7cbaa846b6204ee6a8787a1437c", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0002", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null } ], "context_structures": [], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 3, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_5", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 3, "name": "compound 5 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0022", "PWWP:ASSAY:0015", "PWWP11:ASSAY:0002" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0015": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_5", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0015", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 0.16, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0022": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_5", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0022", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 0.92, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0002": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_5", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "censored_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0002", "operator": ">", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 30.0, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.16, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "c2222578a2669d40ebd82f33e899309ed02efcfc833d55e8db616154da072745", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, "matched_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.16, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "c2222578a2669d40ebd82f33e899309ed02efcfc833d55e8db616154da072745", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.16", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.16, "value_operator": "=", "value_uM": 0.16, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0022", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.92, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "310738da464ce28b8d7b6bce347d322fa5e018fdeae7ba502bb4ddea4f656d63", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0022", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.92", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.92, "value_operator": "=", "value_uM": 0.92, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.03", "source_reported_units": "µM", "source_reported_value": "0.92", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.03, "uncertainty_type": "SD", "uncertainty_uM": 0.03, "unit_conversion": null, "units": "µM", "value": 0.92, "value_operator": "=", "value_uM": 0.92, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0002", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_id": "PREP:COLLIE2025_5", "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "5ae7180872e308784d9f0405d019dfa7b802c7cbaa846b6204ee6a8787a1437c", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0002", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "assayed_stereoisomeric_mixture_not_single_chemical_identity", "component_context": null, "compound_name": "compound 5 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_5", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null } ], "matched_assay_count": 3 }, { "aliases": [ "compound 6 (Collie 2025)" ], "assay_count": 4, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:COLLIE2025_6", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1", "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2", "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 4, "name": "compound 6 (Collie 2025)", "negative_count": 1, "observation_ids": [ "PWWP:ASSAY:0016", "PWWP:ASSAY:0023", "PWWP:ASSAY:0028", "PWWP11:ASSAY:0003" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:COLLIE2025_6" ], "protein_ids": [ "UP:O96028", "UP:Q9BZ95" ], "relationships": [], "relevant": true, "search_text": "compound 6 (collie 2025) prep:collie2025_6 compound 6 (collie 2025) nsd2 nsd3 up:o96028:pwwp1 up:q9bz95:pwwp1 {} pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/ pmid:40959233 2025 https://pmc.ncbi.nlm.nih.gov/articles/pmc12434523/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.71, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "b12707995efe95fd63e6037dc199e7dc640b7c6cde4545193fd965846d217298", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0023", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 5.83, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "2ca495755b7c142d98d53a6d46d2d74ebc975e8b2197645d350b35e9646a0bef", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0023", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0028", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.24, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "d31d5243d7783854e79495af3b75c897e493e6f7d5502dc7406e4ad123feaefe", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0028", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.08", "source_reported_units": "µM", "source_reported_value": "1.24", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.08, "uncertainty_type": "SEM", "uncertainty_uM": 0.08, "unit_conversion": null, "units": "µM", "value": 1.24, "value_operator": "=", "value_uM": 1.24, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.08", "source_reported_units": "µM", "source_reported_value": "1.24", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.08, "uncertainty_type": "SEM", "uncertainty_uM": 0.08, "unit_conversion": null, "units": "µM", "value": 1.24, "value_operator": "=", "value_uM": 1.24, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0003", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "d4512cced0c78207e81d56358ee09b07aeb4faf6f0e309cbbbad81f8d4babeb0", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0003", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null } ], "context_structures": [], "context_assay_count": 4, "context_measured_count": 4, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 4, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:COLLIE2025_6", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 4, "name": "compound 6 (Collie 2025)", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0023", "PWWP:ASSAY:0016", "PWWP11:ASSAY:0003", "PWWP:ASSAY:0028" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 4, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0016": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_6", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0016", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 0.71, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0023": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_6", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0023", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 5.83, "verification_status": "primary_full_text_sections_verified" }, "PWWP:ASSAY:0028": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_6", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "evidence_type": "biochemical_function", "explicitly_negative": false, "measured": true, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0028", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1", "source_role": "experimentally_studied_ligand", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.24, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0003": { "chemical_id": null, "compound_id": "PREP:COLLIE2025_6", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "censored_binding", "explicitly_negative": true, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP11:ASSAY:0003", "operator": ">", "positive_direct_binder": false, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S05", "source_location": "Table 1 NSD3 (263–398) column", "source_role": "counter_target_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 30.0, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.71, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "b12707995efe95fd63e6037dc199e7dc640b7c6cde4545193fd965846d217298", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, "matched_observations": [ { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 0.71, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "b12707995efe95fd63e6037dc199e7dc640b7c6cde4545193fd965846d217298", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0016", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.09", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.09, "uncertainty_type": "SD", "uncertainty_uM": 0.09, "unit_conversion": null, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0023", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "is_measured": true, "is_negative": false, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 5.83, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "2ca495755b7c142d98d53a6d46d2d74ebc975e8b2197645d350b35e9646a0bef", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 350, "assay_construct_start": 211, "assay_record_id": "PWWP:ASSAY:0023", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 211–350\", \"purified_tags\": \"N-terminal GS remnant; C-terminal Avi; biotinylated after GST/6His removal\", \"replicates\": \"at least 3\", \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Affinity pertains to assay construct; crystal mutations and boundaries are separately recorded.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.64", "source_reported_units": "µM", "source_reported_value": "5.83", "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 0.64, "uncertainty_type": "SD", "uncertainty_uM": 0.64, "unit_conversion": null, "units": "µM", "value": 5.83, "value_operator": "=", "value_uM": 5.83, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0028", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "is_measured": true, "is_negative": false, "method": "HTRF displacement", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": 1.24, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "d31d5243d7783854e79495af3b75c897e493e6f7d5502dc7406e4ad123feaefe", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 368, "assay_construct_start": 208, "assay_record_id": "PWWP:ASSAY:0028", "assay_type": "HTRF displacement IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD2 208–368\", \"purified_tags\": \"N-terminal Avi; C-terminal 6His; biotinylated\", \"replicates\": 2, \"uncertainty_type\": \"SEM\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Table 1", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD2", "interpretation": "Probe displacement from the H3K36me2 binding site; not catalytic SET-domain inhibition.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "HTRF full conditions are referenced to Carlino et al. 2024 DOI 10.1021/acs.jmedchem.4c00215. Its main protocol remains inaccessible after official repository checks. The actual supplement was inspected but contains no HTRF protocol. Table 1 reports SEM; independence level of HTRF replicates is not specified.", "replicates": "2", "role": "experimentally_studied_ligand", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": "0.08", "source_reported_units": "µM", "source_reported_value": "1.24", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "temperature_C": null, "uncertainty": 0.08, "uncertainty_type": "SEM", "uncertainty_uM": 0.08, "unit_conversion": null, "units": "µM", "value": 1.24, "value_operator": "=", "value_uM": 1.24, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.08", "source_reported_units": "µM", "source_reported_value": "1.24", "source_verification_scope": "Phase 3 primary Table 1 and actual Collie supporting PDF pages 7, 9 and 14; Carlino supporting PDF contents inspected, but the inherited main-article HTRF method remains not inspected after documented access attempts.", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": 0.08, "uncertainty_type": "SEM", "uncertainty_uM": 0.08, "unit_conversion": null, "units": "µM", "value": 1.24, "value_operator": "=", "value_uM": 1.24, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0003", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:COLLIE2025_6", "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "is_measured": true, "is_negative": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:Q9BZ95", "publication_year": 2025, "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S05", "source_measurement_key": "d4512cced0c78207e81d56358ee09b07aeb4faf6f0e309cbbbad81f8d4babeb0", "source_original": { "DMSO_percent": 0.3, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 398, "assay_construct_start": 263, "assay_record_id": "PWWP11:ASSAY:0003", "assay_type": "SPR Kd counter-screen", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "10 mM HEPES; 150 mM NaCl; 3 mM EDTA; 0.1 mM TCEP; 0.05% (w/v) Tween-20; 0.3% (v/v) DMSO", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "compound 6 (Collie 2025)", "conditions": "{\"assay_substitutions\": \"not listed for assay constructs; 9FOE crystallographic mutants kept separate\", \"phase3_verification\": \"SV05A/SV05B\", \"protein_construct\": \"NSD3 263–398\", \"purified_tags\": \"N-terminal 6His-TEV retained\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint_label_status": null, "evidence_class": "censored_binding_limit", "evidence_location": "Table 1 NSD3 (263–398) column", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC12434523/", "gene": "NSD3", "interpretation": "Single counter-target experiment; not evidence of proteome-wide selectivity. No-binding rows have no inferred numerical threshold.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.5, "pdb_id": null, "preparation_id": "PREP:COLLIE2025_6", "protein_id": "UP:Q9BZ95", "qualitative_result": null, "reference_id": "PMID:40959233", "remaining_uncertainty": "Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.", "replicates": "at least 3 independent replicates (Table 1 general SPR definition)", "role": "counter_target_assay", "source_component_url": null, "source_id": "S05", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Phase 3 primary Table 1 and actual supporting PDF pages 7, 9 and 14; the inherited HTRF method remains explicitly not inspected", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": "µM", "value": 30.0, "value_operator": ">", "value_uM": 30.0, "verification_level": null } ], "matched_assay_count": 4 }, { "aliases": [ "H4K20me3 peptide / trimethyllysine monomer" ], "assay_count": 2, "associated_pdb_ids": [ "3QBY" ], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:H4K20me3_11mer", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "HDGFL2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "M3L is one covalently linked residue, not the assayed peptide chemical identity.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 1, "name": "H4K20me3 peptide / trimethyllysine monomer", "negative_count": 0, "observation_ids": [ "PWWP:ASSAY:0036", "PWWP11:ASSAY:0010" ], "pdb_structure_count": 1, "preparation_count": 1, "preparation_ids": [ "PREP:H4K20me3_11mer" ], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "h4k20me3 peptide / trimethyllysine monomer prep:h4k20me3_11mer h4k20me3 peptide / trimethyllysine monomer hdgfl2 up:q7z4v5:pwwp1 3qby {} pmid:21720545 2011 https://pmc.ncbi.nlm.nih.gov/articles/pmc3119473/ pmid:21720545 2011 https://pmc.ncbi.nlm.nih.gov/articles/pmc3119473/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0036", "assay_type": "X-ray structural association; no pharmacological activity assigned", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "separate_whole_peptide_preparation_from_M3L_monomer", "baseline_assay_record": 1, "buffer": null, "ccd_id": "M3L", "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": "nonstandard_polymer_monomer", "compound_id": "PREP:H4K20me3_11mer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "structural_occupancy_association", "evidence_location": "Table 2; RCSB polymer entity 2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Chain H is an 11-residue H4K20me3 peptide AKRHR(M3L)VLRDN. M3L is a modified polymer monomer, not a free drug. The modeled subset must be distinguished from the full deposited peptide.", "is_measured": false, "is_negative": false, "method": "X-ray structural association; no pharmacological activity assigned", "molecular_entity_type": "modified_histone_peptide", "normalized_exact_uM": null, "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "publication_year": 2011, "qualitative_result": null, "reference_id": "PMID:21720545", "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.", "replicates": null, "role": "histone methyllysine surrogate/partially resolved peptide", "source_component_url": "https://data.rcsb.org/rest/v1/core/polymer_entity/3QBY/2", "source_database": "Primary literature (frozen Atlas)", "source_id": "S07", "source_measurement_key": "a363822c867f349dd105a00212e0aa68b251ca31d931e12e58813894962fe19d", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0036", "assay_type": "X-ray structural association; no pharmacological activity assigned", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "separate_whole_peptide_preparation_from_M3L_monomer", "baseline_assay_record": 1, "buffer": null, "ccd_id": "M3L", "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": "nonstandard_polymer_monomer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "structural_occupancy_association", "evidence_location": "Table 2; RCSB polymer entity 2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Chain H is an 11-residue H4K20me3 peptide AKRHR(M3L)VLRDN. M3L is a modified polymer monomer, not a free drug. The modeled subset must be distinguished from the full deposited peptide.", "molecular_entity_type": "modified_histone_peptide", "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "qualitative_result": null, "reference_id": "PMID:21720545", "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.", "replicates": null, "role": "histone methyllysine surrogate/partially resolved peptide", "source_component_url": "https://data.rcsb.org/rest/v1/core/polymer_entity/3QBY/2", "source_id": "S07", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP11:ASSAY:0010", "assay_type": "Fluorescence polarization binding", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": null, "compound_id": "PREP:H4K20me3_11mer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{\"sequence\": \"AKRHRK(me3)VLRDN\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "qualitative_weak_binding", "evidence_location": "Table 1 H4K20me3 / HDGF2 cell and footnote", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Solution binding cannot be quantified from this record; structural occupancy separately linked to 3QBY.", "is_measured": true, "is_negative": false, "method": "Fluorescence polarization binding", "molecular_entity_type": "modified_histone_peptide", "normalized_exact_uM": null, "numeric_transcription_status": "null_preserved_for_unfittable_binding", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "publication_year": 2011, "qualitative_result": "Very weak; too weak to fit reliably", "reference_id": "PMID:21720545", "remaining_uncertainty": null, "replicates": null, "role": "histone_peptide_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S07", "source_measurement_key": "cf1c24ea381bee900d125513be012f98cdc2e554af2e1d7231b06e55656883cd", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP11:ASSAY:0010", "assay_type": "Fluorescence polarization binding", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": null, "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{\"sequence\": \"AKRHRK(me3)VLRDN\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "qualitative_weak_binding", "evidence_location": "Table 1 H4K20me3 / HDGF2 cell and footnote", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Solution binding cannot be quantified from this record; structural occupancy separately linked to 3QBY.", "molecular_entity_type": "modified_histone_peptide", "numeric_transcription_status": "null_preserved_for_unfittable_binding", "numeric_value_inferred_from_structure": null, "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "qualitative_result": "Very weak; too weak to fit reliably", "reference_id": "PMID:21720545", "remaining_uncertainty": null, "replicates": null, "role": "histone_peptide_assay", "source_component_url": null, "source_id": "S07", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_verified", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_verified", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "context_structures": [], "context_assay_count": 2, "context_measured_count": 1, "context_bound_count": 0, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:H4K20me3_11mer", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 0, "name": "H4K20me3 peptide / trimethyllysine monomer", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP11:ASSAY:0010", "PWWP:ASSAY:0036" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 2, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0036": { "chemical_id": null, "compound_id": "PREP:H4K20me3_11mer", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "evidence_type": "structural_association_only", "explicitly_negative": false, "measured": false, "method": "X-ray structural association; no pharmacological activity assigned", "molecular_entity_type": "modified_histone_peptide", "observation_id": "PWWP:ASSAY:0036", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S07", "source_location": "Table 2; RCSB polymer entity 2", "source_role": "histone methyllysine surrogate/partially resolved peptide", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected", "studied_compound": false, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0010": { "chemical_id": null, "compound_id": "PREP:H4K20me3_11mer", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "evidence_type": "qualitative_weak_binding", "explicitly_negative": false, "measured": true, "method": "Fluorescence polarization binding", "molecular_entity_type": "modified_histone_peptide", "observation_id": "PWWP11:ASSAY:0010", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "remaining_uncertainty": null, "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S07", "source_location": "Table 1 H4K20me3 / HDGF2 cell and footnote", "source_role": "histone_peptide_assay", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "source_verification_scope": "local_primary_full_text_XML_table_verified", "studied_compound": false, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "source_scope_unresolved" } }, "example": null, "matched_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0036", "assay_type": "X-ray structural association; no pharmacological activity assigned", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "separate_whole_peptide_preparation_from_M3L_monomer", "baseline_assay_record": 1, "buffer": null, "ccd_id": "M3L", "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": "nonstandard_polymer_monomer", "compound_id": "PREP:H4K20me3_11mer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "structural_occupancy_association", "evidence_location": "Table 2; RCSB polymer entity 2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Chain H is an 11-residue H4K20me3 peptide AKRHR(M3L)VLRDN. M3L is a modified polymer monomer, not a free drug. The modeled subset must be distinguished from the full deposited peptide.", "is_measured": false, "is_negative": false, "method": "X-ray structural association; no pharmacological activity assigned", "molecular_entity_type": "modified_histone_peptide", "normalized_exact_uM": null, "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "publication_year": 2011, "qualitative_result": null, "reference_id": "PMID:21720545", "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.", "replicates": null, "role": "histone methyllysine surrogate/partially resolved peptide", "source_component_url": "https://data.rcsb.org/rest/v1/core/polymer_entity/3QBY/2", "source_database": "Primary literature (frozen Atlas)", "source_id": "S07", "source_measurement_key": "a363822c867f349dd105a00212e0aa68b251ca31d931e12e58813894962fe19d", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0036", "assay_type": "X-ray structural association; no pharmacological activity assigned", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "separate_whole_peptide_preparation_from_M3L_monomer", "baseline_assay_record": 1, "buffer": null, "ccd_id": "M3L", "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": "nonstandard_polymer_monomer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "structural_occupancy_association", "evidence_location": "Table 2; RCSB polymer entity 2", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Chain H is an 11-residue H4K20me3 peptide AKRHR(M3L)VLRDN. M3L is a modified polymer monomer, not a free drug. The modeled subset must be distinguished from the full deposited peptide.", "molecular_entity_type": "modified_histone_peptide", "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "qualitative_result": null, "reference_id": "PMID:21720545", "remaining_uncertainty": "M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.", "replicates": null, "role": "histone methyllysine surrogate/partially resolved peptide", "source_component_url": "https://data.rcsb.org/rest/v1/core/polymer_entity/3QBY/2", "source_id": "S07", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML; Tables 1-2, crystallization methods and ligand Results inspected", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP11:ASSAY:0010", "assay_type": "Fluorescence polarization binding", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": null, "compound_id": "PREP:H4K20me3_11mer", "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{\"sequence\": \"AKRHRK(me3)VLRDN\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "qualitative_weak_binding", "evidence_location": "Table 1 H4K20me3 / HDGF2 cell and footnote", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Solution binding cannot be quantified from this record; structural occupancy separately linked to 3QBY.", "is_measured": true, "is_negative": false, "method": "Fluorescence polarization binding", "molecular_entity_type": "modified_histone_peptide", "normalized_exact_uM": null, "numeric_transcription_status": "null_preserved_for_unfittable_binding", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "publication_year": 2011, "qualitative_result": "Very weak; too weak to fit reliably", "reference_id": "PMID:21720545", "remaining_uncertainty": null, "replicates": null, "role": "histone_peptide_assay", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S07", "source_measurement_key": "cf1c24ea381bee900d125513be012f98cdc2e554af2e1d7231b06e55656883cd", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP11:ASSAY:0010", "assay_type": "Fluorescence polarization binding", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "defined_modified_peptide_sequence_not_monomer_identity", "component_context": null, "compound_name": "H4K20me3 peptide / trimethyllysine monomer", "conditions": "{\"sequence\": \"AKRHRK(me3)VLRDN\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "qualitative_weak_binding", "evidence_location": "Table 1 H4K20me3 / HDGF2 cell and footnote", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC3119473/", "gene": "HDGFL2", "interpretation": "Solution binding cannot be quantified from this record; structural occupancy separately linked to 3QBY.", "molecular_entity_type": "modified_histone_peptide", "numeric_transcription_status": "null_preserved_for_unfittable_binding", "numeric_value_inferred_from_structure": null, "pH": null, "pdb_id": "3QBY", "preparation_id": "PREP:H4K20me3_11mer", "protein_id": "UP:Q7Z4V5", "qualitative_result": "Very weak; too weak to fit reliably", "reference_id": "PMID:21720545", "remaining_uncertainty": null, "replicates": null, "role": "histone_peptide_assay", "source_component_url": null, "source_id": "S07", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_verified", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_verified", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": null } ], "matched_assay_count": 2 }, { "aliases": [ "HS13" ], "assay_count": 1, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Verification pending", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:HS13", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": null, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "HS13", "negative_count": 0, "observation_ids": [ "PWWP:ASSAY:0035" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:HS13" ], "protein_ids": [ "UP:O96028" ], "relationships": [], "relevant": true, "search_text": "hs13 prep:hs13 hs13 nsd2 up:o96028:pwwp1 {} pmid:42442058 2026 https://doi.org/10.1016/j.bmc.2026.118751", "source_urls": [ "https://doi.org/10.1016/j.bmc.2026.118751" ], "verification_pending": true, "context_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": "Kd", "abstract_reported_method": null, "abstract_reported_units": "µM", "abstract_reported_value": 8.33, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0035", "assay_type": "Quantitative assay verification pending", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:HS13", "compound_name": "HS13", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "abstract_reported_covalent_association", "evidence_location": "Abstract", "evidence_url": "https://doi.org/10.1016/j.bmc.2026.118751", "gene": "NSD2", "interpretation": "Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.", "is_measured": false, "is_negative": false, "method": "Quantitative assay verification pending", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:HS13", "protein_id": "UP:O96028", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42442058", "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.", "replicates": null, "role": "reported_covalent_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S08", "source_measurement_key": "615adb7a09e61dc2ca3bd10ea25e006ed79b76ec2aa5aefae2212a595ee0fee6", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": "Kd", "abstract_reported_method": null, "abstract_reported_units": "µM", "abstract_reported_value": 8.33, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0035", "assay_type": "Quantitative assay verification pending", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "HS13", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "abstract_reported_covalent_association", "evidence_location": "Abstract", "evidence_url": "https://doi.org/10.1016/j.bmc.2026.118751", "gene": "NSD2", "interpretation": "Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:HS13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:42442058", "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.", "replicates": null, "role": "reported_covalent_ligand", "source_component_url": null, "source_id": "S08", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "PubMed_primary_article_abstract_only", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "abstract_only_quantitative_verification_pending" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "PubMed_primary_article_abstract_only", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "abstract_only_quantitative_verification_pending" } ], "context_structures": [], "context_assay_count": 1, "context_measured_count": 0, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "Association / verification pending", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:HS13", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 0, "name": "HS13", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP:ASSAY:0035" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 1, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0035": { "chemical_id": null, "compound_id": "PREP:HS13", "domain_id": "UP:O96028:PWWP1", "endpoint": "Qualitative / association", "evidence_type": "reported_association_unverified", "explicitly_negative": false, "measured": false, "method": "Quantitative assay verification pending", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP:ASSAY:0035", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:HS13", "protein_id": "UP:O96028", "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S08", "source_location": "Abstract", "source_role": "reported_covalent_ligand", "source_url": "https://doi.org/10.1016/j.bmc.2026.118751", "source_verification_scope": "PubMed_primary_article_abstract_only", "studied_compound": false, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "abstract_only_quantitative_verification_pending" } }, "example": null, "matched_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": "Kd", "abstract_reported_method": null, "abstract_reported_units": "µM", "abstract_reported_value": 8.33, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0035", "assay_type": "Quantitative assay verification pending", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_id": "PREP:HS13", "compound_name": "HS13", "conditions": "{}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Qualitative / association", "endpoint_label_status": null, "evidence_class": "abstract_reported_covalent_association", "evidence_location": "Abstract", "evidence_url": "https://doi.org/10.1016/j.bmc.2026.118751", "gene": "NSD2", "interpretation": "Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.", "is_measured": false, "is_negative": false, "method": "Quantitative assay verification pending", "molecular_entity_type": "small_molecule_preparation", "normalized_exact_uM": null, "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "preparation_id": "PREP:HS13", "protein_id": "UP:O96028", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42442058", "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.", "replicates": null, "role": "reported_covalent_ligand", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S08", "source_measurement_key": "615adb7a09e61dc2ca3bd10ea25e006ed79b76ec2aa5aefae2212a595ee0fee6", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": "Kd", "abstract_reported_method": null, "abstract_reported_units": "µM", "abstract_reported_value": 8.33, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0035", "assay_type": "Quantitative assay verification pending", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "paper_label_exact_identity_unresolved", "component_context": null, "compound_name": "HS13", "conditions": "{}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint_label_status": null, "evidence_class": "abstract_reported_covalent_association", "evidence_location": "Abstract", "evidence_url": "https://doi.org/10.1016/j.bmc.2026.118751", "gene": "NSD2", "interpretation": "Abstract describes C294 covalency and an affinity value; full assay details were inaccessible, so numerical pharmacology is intentionally uncurated.", "molecular_entity_type": "small_molecule_preparation", "numeric_transcription_status": "not_a_quantitative_affinity_record", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:HS13", "protein_id": "UP:O96028", "qualitative_result": null, "reference_id": "PMID:42442058", "remaining_uncertainty": "Primary abstract reports Kd 8.33 µM and C294 covalency; full assay method, construct, uncertainty and exact chemical identity not verified. Main value remains null.", "replicates": null, "role": "reported_covalent_ligand", "source_component_url": null, "source_id": "S08", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "PubMed_primary_article_abstract_only", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "abstract_only_quantitative_verification_pending" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "PubMed_primary_article_abstract_only", "target_scope": "domain_specific", "temperature_C": null, "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "unit_conversion": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "abstract_only_quantitative_verification_pending" } ], "matched_assay_count": 1 }, { "aliases": [ "MS9715N" ], "assay_count": 2, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Experimental control", "Preparation identity unresolved" ], "compound_id": "PREP:MS9715N", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:Q9BZ95:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD3" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Distinct VHL-ligand diastereomer of MS9715, source defines changed VHL stereocenters. No exact identity assigned by name-only matching. Retains measurable NSD3-PWWP1 binding; negative control applies to productive degradation.", "identity_resolved": false, "is_control": true, "is_probe": false, "measured_observation_count": 2, "name": "MS9715N", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0003", "PWWP5:ASSAY:0006" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:MS9715N" ], "protein_ids": [ "UP:Q9BZ95" ], "relationships": [ { "object_id": "INCHIKEY:RWXCSOWWDBANDF-LPFSXYLXSA-N", "object_preparation_id": "PREP:MS9715", "original_object_id": "PREP:MS9715", "original_subject_id": "PREP:MS9715N", "predicate": "negative_control_for", "relationship": "negative_control_for", "relationship_id": "P5:REL:MS9715N", "retrieval_date": "2026-10-26", "scope": "VHL-dependent degradation control; preserves NSD3-PWWP1 affinity", "source_id": "P5:S:XU2022", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "subject_id": "PREP:MS9715N", "subject_preparation_id": "PREP:MS9715N", "version": "phase5.chemical_curation.1.1.0" } ], "relevant": true, "search_text": "ms9715n prep:ms9715n ms9715n nsd3 up:q9bz95:pwwp1 {} pmid:34469831 2022 https://pmc.ncbi.nlm.nih.gov/articles/pmc8882712/ pmid:34469831 2022 https://pmc.ncbi.nlm.nih.gov/articles/pmc8882712/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_id": "PREP:MS9715N", "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "ITC", "normalized_exact_uM": 1.62, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "044f7ebcac6ac263a3172f75e439cf638b8d11c21de3dc307768e8e331df066b", "source_original": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:XU2022", "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "domain_specific", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0006", "assay_type": "Immunoblot degradation control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:MS9715N", "compound_name": "MS9715N", "conditions": { "cell_lines": [ "EOL-1", "MM1.S" ], "duration_hours": 48 }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results; Figure 3A-B; Figure S1C-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Immunoblot degradation control", "negative_control_scope": "Productive VHL recruitment and degradation; retains direct NSD3-PWWP1 binding", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "qualitative_result": "No NSD3 depletion observed in the matched control comparison.", "reference_id": "PMID:34469831", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "9f0e4dc3bcdfca19e3a53c4002b02b63ced958dbc05625e2d958652249cc37f2", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0006", "assay_type": "Immunoblot degradation control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "MS9715N", "conditions": { "cell_lines": [ "EOL-1", "MM1.S" ], "duration_hours": 48 }, "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results; Figure 3A-B; Figure S1C-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "negative_control_scope": "Productive VHL recruitment and degradation; retains direct NSD3-PWWP1 binding", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "qualitative_result": "No NSD3 depletion observed in the matched control comparison.", "reference_id": "PMID:34469831", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:XU2022", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 2, "context_measured_count": 2, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 2, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": true, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:MS9715N", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 2, "name": "MS9715N", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": false, "reported_control": true, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0003", "PWWP5:ASSAY:0006" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 2, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0003": { "chemical_id": null, "compound_id": "PREP:MS9715N", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "ITC", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0003", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "reported_cellular": false, "reported_control": true, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:XU2022", "source_location": "Results and Figure 2B-D; STAR Methods: ITC", "source_role": "negative_control", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "µM", "value": 1.62, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0006": { "chemical_id": null, "compound_id": "PREP:MS9715N", "domain_id": null, "endpoint": "qualitative", "evidence_type": "qualitative_control", "explicitly_negative": false, "measured": true, "method": "Immunoblot degradation control", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0006", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "reported_cellular": false, "reported_control": true, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:XU2022", "source_location": "Results; Figure 3A-B; Figure S1C-D", "source_role": "negative_control", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": null, "value": null, "verification_status": "primary_source_verified" } }, "example": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_id": "PREP:MS9715N", "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "ITC", "normalized_exact_uM": 1.62, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "044f7ebcac6ac263a3172f75e439cf638b8d11c21de3dc307768e8e331df066b", "source_original": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:XU2022", "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "domain_specific", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "matched_observations": [ { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_id": "PREP:MS9715N", "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "ITC", "normalized_exact_uM": 1.62, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "044f7ebcac6ac263a3172f75e439cf638b8d11c21de3dc307768e8e331df066b", "source_original": { "DMSO_percent": 1, "assay_construct_end": 402, "assay_construct_start": 247, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0003", "assay_type": "ITC Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "ccd_id": null, "chemical_id": null, "compound_name": "MS9715N", "conditions": { "buffer": "50 mM Tris-HCl; 150 mM NaCl; 1% DMSO; 3% NMP", "compound_syringe_concentration_uM": 200, "construct": "NSD3 247–402 in pNICBio2, E. coli expressed", "first_injection_removed": true, "model": "single binding site", "pH": 6.8, "protein_concentration_uM": 20, "temperature_C": 15 }, "domain": "PWWP1", "domain_id": "UP:Q9BZ95:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Results and Figure 2B-D; STAR Methods: ITC", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pH": 6.8, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "reference_id": "PMID:34469831", "remaining_uncertainty": "Primary manuscript and Methods inspected; individual raw titration files not re-fitted. BI-9321 is a distinct study-specific ITC measurement, not the original 2019 SPR result.", "replicates": "2 independent measurements", "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:XU2022", "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.33", "source_reported_units": "µM", "source_reported_value": "1.62", "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "domain_specific", "temperature_C": 15, "uncertainty": 0.33, "uncertainty_type": "SD", "uncertainty_uM": 0.33, "units": "µM", "value": 1.62, "value_operator": "=", "value_uM": 1.62, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0006", "assay_type": "Immunoblot degradation control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:MS9715N", "compound_name": "MS9715N", "conditions": { "cell_lines": [ "EOL-1", "MM1.S" ], "duration_hours": 48 }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results; Figure 3A-B; Figure S1C-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Immunoblot degradation control", "negative_control_scope": "Productive VHL recruitment and degradation; retains direct NSD3-PWWP1 binding", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "qualitative_result": "No NSD3 depletion observed in the matched control comparison.", "reference_id": "PMID:34469831", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:XU2022", "source_measurement_key": "9f0e4dc3bcdfca19e3a53c4002b02b63ced958dbc05625e2d958652249cc37f2", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0006", "assay_type": "Immunoblot degradation control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "MS9715N", "conditions": { "cell_lines": [ "EOL-1", "MM1.S" ], "duration_hours": 48 }, "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results; Figure 3A-B; Figure S1C-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC8882712/", "gene": "NSD3", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "negative_control_scope": "Productive VHL recruitment and degradation; retains direct NSD3-PWWP1 binding", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:MS9715N", "protein_id": "UP:Q9BZ95", "publication_year": 2022, "qualitative_result": "No NSD3 depletion observed in the matched control comparison.", "reference_id": "PMID:34469831", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:XU2022", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text; Results, ITC Methods and Figure 2/3 captions inspected", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 2 }, { "aliases": [ "NbH10" ], "assay_count": 3, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:NbH10", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O75475:PWWP1", "UP:Q7Z4V5:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "HDGFL2", "PSIP1" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 3, "name": "NbH10", "negative_count": 0, "observation_ids": [ "PWWP:ASSAY:0032", "PWWP11:ASSAY:0008", "PWWP11:ASSAY:0009" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:NbH10" ], "protein_ids": [ "UP:O75475", "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "nbh10 prep:nbh10 nbh10 hdgfl2 psip1 up:o75475:pwwp1 up:q7z4v5:pwwp1 {} pmid:42194065 2026 https://pmc.ncbi.nlm.nih.gov/articles/pmc13204740/ pmid:42194065 2026 https://pmc.ncbi.nlm.nih.gov/articles/pmc13204740/ pmid:42194065 2026 https://pmc.ncbi.nlm.nih.gov/articles/pmc13204740/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/" ], "verification_pending": false, "context_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_full_length_protein_nucleosome_interaction", "assay_record_id": "PWWP:ASSAY:0032", "assay_type": "AlphaScreen inhibition IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": { "binding_partner": "H3K36me3-modified nucleosomes", "buffer": "25 mM Tris-HCl, pH 7.4; 150 mM NaCl; 1 mM MgCl2; 1 mM DTT; 0.1% Tween 20; 0.1% BSA", "nucleosome_concentration_nM": 5, "preincubation": "30 minutes at 4 °C; after nucleosome addition 1 hour at 4 °C; after beads 1 hour at room temperature", "target": "full-length FLAG-LEDGF/p75", "target_concentration_nM": 10 }, "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": null, "domain_id": null, "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "full_protein_chromatin_interaction_inhibition", "evidence_location": "Section 3.6; Figure 3", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "PWWP-directed nanobody inhibits full-length LEDGF/p75–nucleosome interaction. The assay is not a direct isolated-PWWP-domain affinity measurement.", "is_measured": true, "is_negative": false, "method": "AlphaScreen inhibition", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.94, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "phase5_context_review": { "assay_record_id": "PWWP:ASSAY:0032", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "patch": { "assay_context": "purified_full_length_protein_nucleosome_interaction", "conditions": { "binding_partner": "H3K36me3-modified nucleosomes", "buffer": "25 mM Tris-HCl, pH 7.4; 150 mM NaCl; 1 mM MgCl2; 1 mM DTT; 0.1% Tween 20; 0.1% BSA", "nucleosome_concentration_nM": 5, "preincubation": "30 minutes at 4 °C; after nucleosome addition 1 hour at 4 °C; after beads 1 hour at room temperature", "target": "full-length FLAG-LEDGF/p75", "target_concentration_nM": 10 }, "domain": null, "domain_id": null, "evidence_class": "full_protein_chromatin_interaction_inhibition", "interpretation": "PWWP-directed nanobody inhibits full-length LEDGF/p75–nucleosome interaction. The assay is not a direct isolated-PWWP-domain affinity measurement.", "related_domain_id": "UP:O75475:PWWP1", "target_construct_description": "FLAG-tagged full-length LEDGF/p75", "target_variant": "wild type as reported" }, "reason": "Primary Results explicitly identify full-length LEDGF/p75; Methods specify FLAG-LEDGF/p75 and H3K36me3 nucleosomes. Domain-specific evidence counts must use this reviewed context while preserving the frozen source record.", "retrieval_date": "2026-10-26", "source_id": "P5:S:VANTIEGHEM2026", "verification_scope": "NCBI BioC full text: functional Results and AlphaScreen inhibition Methods; numerical values untouched", "version": "phase5.chemical_curation.1.1.0" }, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "related_domain_id": "UP:O75475:PWWP1", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "64129d049fb146260a15967b63484dc7d02c353c3a1e459fa7c7ee13009e378f", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0032", "assay_type": "AlphaScreen inhibition IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"partner\": \"H3K36me3 nucleosomes\", \"protein\": \"full-length LEDGF/p75\"}", "crystallographic_component_ids": null, "domain": "PWWP", "domain_id": "UP:O75475:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Section 3.6; Figure 3", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Macromolecular binder. NbH10-alone crystal coordinates do not establish a PWWP-bound complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": "0.15", "source_reported_units": "µM", "source_reported_value": "0.94", "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected", "temperature_C": null, "uncertainty": 0.15, "uncertainty_type": null, "uncertainty_uM": 0.15, "unit_conversion": null, "units": "µM", "value": 0.94, "value_operator": "=", "value_uM": 0.94, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.15", "source_reported_units": "µM", "source_reported_value": "0.94", "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected", "target_construct_description": "FLAG-tagged full-length LEDGF/p75", "target_scope": "protein_level", "target_variant": "wild type as reported", "temperature_C": null, "uncertainty": 0.15, "uncertainty_type": null, "uncertainty_uM": 0.15, "unit_conversion": null, "units": "µM", "value": 0.94, "value_operator": "=", "value_uM": 0.94, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "is_measured": true, "is_negative": false, "method": "SPR apparent", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.09440000000000001, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "437e5146b15697596be03ecc00acefeab56a5efe4bf6ae7ce0b15cbc7b25059f", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 93, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0009", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"HDGFL2 1–93\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "HDGFL2", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "is_measured": true, "is_negative": false, "method": "SPR apparent", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.08120000000000001, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:Q7Z4V5", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "e12b93148f6a933f9b18d6f836060c5896730ee09245958afffc84e7b81736bc", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 93, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0009", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"HDGFL2 1–93\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "HDGFL2", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:Q7Z4V5", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "temperature_C": 25, "uncertainty": 1.8, "uncertainty_type": "SD", "uncertainty_uM": 0.0018, "unit_conversion": null, "units": "nM", "value": 81.2, "value_operator": "=", "value_uM": 0.0812, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 1.8, "uncertainty_type": "SD", "uncertainty_uM": 0.0018, "unit_conversion": null, "units": "nM", "value": 81.2, "value_operator": "=", "value_uM": 0.0812, "verification_level": null } ], "context_structures": [], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:NbH10", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 0, "name": "NbH10", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP11:ASSAY:0008", "PWWP11:ASSAY:0009", "PWWP:ASSAY:0032" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP:ASSAY:0032": { "chemical_id": null, "compound_id": "PREP:NbH10", "domain_id": null, "endpoint": "IC50", "evidence_type": "protein_level_biochemical", "explicitly_negative": false, "measured": true, "method": "AlphaScreen inhibition", "molecular_entity_type": "nanobody", "observation_id": "PWWP:ASSAY:0032", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S06", "source_location": "Section 3.6; Figure 3", "source_role": "experimentally_studied_macromolecular_binder", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected", "studied_compound": false, "target_scope": "protein_level", "target_variant": "wild type as reported", "units": "µM", "value": 0.94, "verification_status": "primary_full_text_sections_verified" }, "PWWP11:ASSAY:0008": { "chemical_id": null, "compound_id": "PREP:NbH10", "domain_id": "UP:O75475:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR apparent", "molecular_entity_type": "nanobody", "observation_id": "PWWP11:ASSAY:0008", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "remaining_uncertainty": null, "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S06", "source_location": "Table 1 NbH10 column; SPR methods", "source_role": "macromolecular_binder", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "studied_compound": false, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 94.4, "verification_status": "source_scope_unresolved" }, "PWWP11:ASSAY:0009": { "chemical_id": null, "compound_id": "PREP:NbH10", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR apparent", "molecular_entity_type": "nanobody", "observation_id": "PWWP11:ASSAY:0009", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:NbH10", "protein_id": "UP:Q7Z4V5", "remaining_uncertainty": null, "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "S06", "source_location": "Table 1 NbH10 column; SPR methods", "source_role": "macromolecular_binder", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "studied_compound": false, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 81.2, "verification_status": "source_scope_unresolved" } }, "example": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "is_measured": true, "is_negative": false, "method": "SPR apparent", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.09440000000000001, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "437e5146b15697596be03ecc00acefeab56a5efe4bf6ae7ce0b15cbc7b25059f", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, "matched_observations": [ { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_full_length_protein_nucleosome_interaction", "assay_record_id": "PWWP:ASSAY:0032", "assay_type": "AlphaScreen inhibition IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": { "binding_partner": "H3K36me3-modified nucleosomes", "buffer": "25 mM Tris-HCl, pH 7.4; 150 mM NaCl; 1 mM MgCl2; 1 mM DTT; 0.1% Tween 20; 0.1% BSA", "nucleosome_concentration_nM": 5, "preincubation": "30 minutes at 4 °C; after nucleosome addition 1 hour at 4 °C; after beads 1 hour at room temperature", "target": "full-length FLAG-LEDGF/p75", "target_concentration_nM": 10 }, "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": null, "domain_id": null, "endpoint": "IC50", "endpoint_label_status": null, "evidence_class": "full_protein_chromatin_interaction_inhibition", "evidence_location": "Section 3.6; Figure 3", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "PWWP-directed nanobody inhibits full-length LEDGF/p75–nucleosome interaction. The assay is not a direct isolated-PWWP-domain affinity measurement.", "is_measured": true, "is_negative": false, "method": "AlphaScreen inhibition", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.94, "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "organism": "Homo sapiens", "pH": null, "pdb_id": null, "phase5_context_review": { "assay_record_id": "PWWP:ASSAY:0032", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "patch": { "assay_context": "purified_full_length_protein_nucleosome_interaction", "conditions": { "binding_partner": "H3K36me3-modified nucleosomes", "buffer": "25 mM Tris-HCl, pH 7.4; 150 mM NaCl; 1 mM MgCl2; 1 mM DTT; 0.1% Tween 20; 0.1% BSA", "nucleosome_concentration_nM": 5, "preincubation": "30 minutes at 4 °C; after nucleosome addition 1 hour at 4 °C; after beads 1 hour at room temperature", "target": "full-length FLAG-LEDGF/p75", "target_concentration_nM": 10 }, "domain": null, "domain_id": null, "evidence_class": "full_protein_chromatin_interaction_inhibition", "interpretation": "PWWP-directed nanobody inhibits full-length LEDGF/p75–nucleosome interaction. The assay is not a direct isolated-PWWP-domain affinity measurement.", "related_domain_id": "UP:O75475:PWWP1", "target_construct_description": "FLAG-tagged full-length LEDGF/p75", "target_variant": "wild type as reported" }, "reason": "Primary Results explicitly identify full-length LEDGF/p75; Methods specify FLAG-LEDGF/p75 and H3K36me3 nucleosomes. Domain-specific evidence counts must use this reviewed context while preserving the frozen source record.", "retrieval_date": "2026-10-26", "source_id": "P5:S:VANTIEGHEM2026", "verification_scope": "NCBI BioC full text: functional Results and AlphaScreen inhibition Methods; numerical values untouched", "version": "phase5.chemical_curation.1.1.0" }, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "related_domain_id": "UP:O75475:PWWP1", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "64129d049fb146260a15967b63484dc7d02c353c3a1e459fa7c7ee13009e378f", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": null, "assay_construct_start": null, "assay_record_id": "PWWP:ASSAY:0032", "assay_type": "AlphaScreen inhibition IC50", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": "retain_with_explicit_endpoint_and_identity", "baseline_assay_record": 1, "buffer": null, "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"partner\": \"H3K36me3 nucleosomes\", \"protein\": \"full-length LEDGF/p75\"}", "crystallographic_component_ids": null, "domain": "PWWP", "domain_id": "UP:O75475:PWWP1", "endpoint_label_status": null, "evidence_class": "biochemical_interaction_inhibition", "evidence_location": "Section 3.6; Figure 3", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Macromolecular binder. NbH10-alone crystal coordinates do not establish a PWWP-bound complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_report", "numeric_value_inferred_from_structure": 0, "pH": null, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": "Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.", "replicates": null, "role": "experimentally_studied_macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": "0.15", "source_reported_units": "µM", "source_reported_value": "0.94", "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected", "temperature_C": null, "uncertainty": 0.15, "uncertainty_type": null, "uncertainty_uM": 0.15, "unit_conversion": null, "units": "µM", "value": 0.94, "value_operator": "=", "value_uM": 0.94, "verification_level": "primary_full_text_sections_verified" }, "source_reported_uncertainty": "0.15", "source_reported_units": "µM", "source_reported_value": "0.94", "source_verification_scope": "local_primary_full_text_XML; Table 1, methods and Results inspected", "target_construct_description": "FLAG-tagged full-length LEDGF/p75", "target_scope": "protein_level", "target_variant": "wild type as reported", "temperature_C": null, "uncertainty": 0.15, "uncertainty_type": null, "uncertainty_uM": 0.15, "unit_conversion": null, "units": "µM", "value": 0.94, "value_operator": "=", "value_uM": 0.94, "verification_level": "primary_full_text_sections_verified" }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "is_measured": true, "is_negative": false, "method": "SPR apparent", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.09440000000000001, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "437e5146b15697596be03ecc00acefeab56a5efe4bf6ae7ce0b15cbc7b25059f", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 90, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0008", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"PSIP1 1–90\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:O75475:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "PSIP1", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:O75475", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 9.1, "uncertainty_type": "SD", "uncertainty_uM": 0.0091, "unit_conversion": null, "units": "nM", "value": 94.4, "value_operator": "=", "value_uM": 0.0944, "verification_level": null }, { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 93, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0009", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_id": "PREP:NbH10", "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"HDGFL2 1–93\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "curation_version": "frozen-v1.2", "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint": "Kd", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "HDGFL2", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "is_measured": true, "is_negative": false, "method": "SPR apparent", "molecular_entity_type": "nanobody", "normalized_exact_uM": 0.08120000000000001, "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "organism": "Homo sapiens", "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:Q7Z4V5", "publication_year": 2026, "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_database": "Primary literature (frozen Atlas)", "source_id": "S06", "source_measurement_key": "e12b93148f6a933f9b18d6f836060c5896730ee09245958afffc84e7b81736bc", "source_original": { "DMSO_percent": null, "abstract_reported_endpoint": null, "abstract_reported_method": null, "abstract_reported_units": null, "abstract_reported_value": null, "assay_construct_end": 93, "assay_construct_start": 1, "assay_record_id": "PWWP11:ASSAY:0009", "assay_type": "SPR apparent Kd", "assay_value_transferred_to_modeled_stereoisomers": 0, "audit_decision": null, "baseline_assay_record": 0, "buffer": "50 mM Tris-HCl, 150 mM NaCl, 0.05% Tween 20", "ccd_id": null, "ccd_mapping_source": null, "chemical_id": null, "chemical_identity_status": "named_macromolecule_no_full_sequence_identity", "component_context": null, "compound_name": "NbH10", "conditions": "{\"protein_construct\": \"HDGFL2 1–93\", \"replicates\": 3, \"uncertainty_type\": \"SD\"}", "crystallographic_component_ids": null, "domain": "PWWP1", "domain_id": "UP:Q7Z4V5:PWWP1", "endpoint_label_status": null, "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1 NbH10 column; SPR methods", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC13204740/", "gene": "HDGFL2", "interpretation": "Apparent SPR affinity of a nanobody; not a small molecule or a solved nanobody–PWWP complex.", "molecular_entity_type": "nanobody", "numeric_transcription_status": "matches_primary_table", "numeric_value_inferred_from_structure": null, "pH": 7.4, "pdb_id": null, "preparation_id": "PREP:NbH10", "protein_id": "UP:Q7Z4V5", "qualitative_result": null, "reference_id": "PMID:42194065", "remaining_uncertainty": null, "replicates": "3", "role": "macromolecular_binder", "source_component_url": null, "source_id": "S06", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "temperature_C": 25, "uncertainty": 1.8, "uncertainty_type": "SD", "uncertainty_uM": 0.0018, "unit_conversion": null, "units": "nM", "value": 81.2, "value_operator": "=", "value_uM": 0.0812, "verification_level": null }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "local_primary_full_text_XML_table_and_methods_verified", "target_scope": "domain_specific", "temperature_C": 25, "uncertainty": 1.8, "uncertainty_type": "SD", "uncertainty_uM": 0.0018, "unit_conversion": null, "units": "nM", "value": 81.2, "value_operator": "=", "value_uM": 0.0812, "verification_level": null } ], "matched_assay_count": 3 }, { "aliases": [ "UNC7753" ], "assay_count": 2, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:UNC7753", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 2, "name": "UNC7753", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0012", "PWWP5:ASSAY:0013" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:UNC7753" ], "protein_ids": [ "UP:O96028" ], "relationships": [ { "object_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N", "object_preparation_id": "PREP:UNC8153", "original_object_id": "PREP:UNC8153", "original_subject_id": "PREP:UNC7753", "predicate": "reported_cellular_precursor_of", "relationship": "reported_cellular_precursor_of", "relationship_id": "P5:REL:UNC7753", "retrieval_date": "2026-10-26", "scope": "Source reports cellular proteolysis; not an interchangeable chemical identity", "source_id": "P5:S:HANLEY2023", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "subject_id": "PREP:UNC7753", "subject_preparation_id": "PREP:UNC7753", "version": "phase5.chemical_curation.1.1.0" } ], "relevant": true, "search_text": "unc7753 prep:unc7753 unc7753 nsd2 {} pmid:36976643 2023 https://pmc.ncbi.nlm.nih.gov/articles/pmc10116495/ pmid:36976643 2023 https://pmc.ncbi.nlm.nih.gov/articles/pmc10116495/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC7753", "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 1.2, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "b2482fbf1f206f2a561ad3d785f698f6d3a40480989835f512745b322b307cad", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0013", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC7753", "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24 }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.", "replicates": null, "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "9cb72c1f4879ad11abf53368c00f35587a7da26e0be3d2ef3a532bea75c583b0", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0013", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24 }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.", "replicates": null, "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": null, "source_reported_units": "percent", "source_reported_value": "81", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "percent", "value": 81, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": "percent", "source_reported_value": "81", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "percent", "value": 81, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 2, "context_measured_count": 2, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 2, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": true, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:UNC7753", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 2, "name": "UNC7753", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "studied", "protein_degradation": true, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0012", "PWWP5:ASSAY:0013" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 2, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0012": { "chemical_id": null, "compound_id": "PREP:UNC7753", "domain_id": null, "endpoint": "DC50", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0012", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:HANLEY2023", "source_location": "Results; Figure 2A-D", "source_role": "reported_degrader", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "µM", "value": 1.2, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0013": { "chemical_id": null, "compound_id": "PREP:UNC7753", "domain_id": null, "endpoint": "Dmax", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0013", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:HANLEY2023", "source_location": "Results; Figure 2A-D", "source_role": "reported_degrader", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "percent", "value": 81, "verification_status": "primary_source_verified" } }, "example": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC7753", "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 1.2, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "b2482fbf1f206f2a561ad3d785f698f6d3a40480989835f512745b322b307cad", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC7753", "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 1.2, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "b2482fbf1f206f2a561ad3d785f698f6d3a40480989835f512745b322b307cad", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0012", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24, "readout": "total NSD2 including major long/short isoforms" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Assay details not explicitly populated remain uncurated; no transfer between assay systems or domains.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.3", "source_reported_units": "µM", "source_reported_value": "1.2", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": 0.3, "uncertainty_type": "SEM", "uncertainty_uM": 0.3, "units": "µM", "value": 1.2, "value_operator": "=", "value_uM": 1.2, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0013", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC7753", "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24 }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.", "replicates": null, "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "9cb72c1f4879ad11abf53368c00f35587a7da26e0be3d2ef3a532bea75c583b0", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0013", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC7753", "conditions": { "cell_line": "U2OS", "duration_hours": 24 }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Results; Figure 2A-D", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC7753", "protein_id": "UP:O96028", "publication_year": 2023, "reference_id": "PMID:36976643", "remaining_uncertainty": "Main-text 81% transcribed; original numeric figure uncertainty not separately verified, so no uncertainty filled.", "replicates": null, "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": null, "source_reported_units": "percent", "source_reported_value": "81", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "percent", "value": 81, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": "percent", "source_reported_value": "81", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": "percent", "value": 81, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 2 }, { "aliases": [ "UNC8269" ], "assay_count": 3, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:UNC8269", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 3, "name": "UNC8269", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0015", "PWWP5:ASSAY:0016", "PWWP5:ASSAY:0017" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:UNC8269" ], "protein_ids": [ "UP:O96028" ], "relationships": [], "relevant": true, "search_text": "unc8269 prep:unc8269 unc8269 nsd2 up:o96028:pwwp1 {} pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y", "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.036000000000000004, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "a547c82aa16579f9fbc3a16cff814b8aa0a814bcfc53b5835b41d85f7d5560fa", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0016", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "e76cf81d62ec7ffe5732c554328739a1b6cb1dfb14eb155bc4144cf6c3f1fe3d", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0016", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "6", "source_reported_units": "percent", "source_reported_value": "59", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 6, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 59, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "6", "source_reported_units": "percent", "source_reported_value": "59", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 6, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 59, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0017", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 1.01, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "b5c1b17732395607943fbe3a31532cfc4dfacb47cc775c63d811d89e097d83ac", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0017", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "0.37", "source_reported_units": "µM", "source_reported_value": "1.01", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 0.37, "uncertainty_type": "SD", "uncertainty_uM": 0.37, "units": "µM", "value": 1.01, "value_operator": "=", "value_uM": 1.01, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.37", "source_reported_units": "µM", "source_reported_value": "1.01", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 0.37, "uncertainty_type": "SD", "uncertainty_uM": 0.37, "units": "µM", "value": 1.01, "value_operator": "=", "value_uM": 1.01, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 3, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": true, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:UNC8269", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 3, "name": "UNC8269", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": true, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0016", "PWWP5:ASSAY:0017", "PWWP5:ASSAY:0015" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0015": { "chemical_id": null, "compound_id": "PREP:UNC8269", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0015", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 1", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 36, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0016": { "chemical_id": null, "compound_id": "PREP:UNC8269", "domain_id": null, "endpoint": "Dmax", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0016", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 2", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "percent", "value": 59, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0017": { "chemical_id": null, "compound_id": "PREP:UNC8269", "domain_id": null, "endpoint": "DC50", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0017", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 2", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "µM", "value": 1.01, "verification_status": "primary_source_verified" } }, "example": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.036000000000000004, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "a547c82aa16579f9fbc3a16cff814b8aa0a814bcfc53b5835b41d85f7d5560fa", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.036000000000000004, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "a547c82aa16579f9fbc3a16cff814b8aa0a814bcfc53b5835b41d85f7d5560fa", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0015", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "21", "source_reported_units": "nM", "source_reported_value": "36", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 21, "uncertainty_type": "SD", "uncertainty_uM": 0.021, "units": "nM", "value": 36, "value_operator": "=", "value_uM": 0.036, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0016", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "e76cf81d62ec7ffe5732c554328739a1b6cb1dfb14eb155bc4144cf6c3f1fe3d", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0016", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "6", "source_reported_units": "percent", "source_reported_value": "59", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 6, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 59, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "6", "source_reported_units": "percent", "source_reported_value": "59", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 6, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 59, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0017", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8269", "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 1.01, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "b5c1b17732395607943fbe3a31532cfc4dfacb47cc775c63d811d89e097d83ac", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0017", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8269", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8269", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "0.37", "source_reported_units": "µM", "source_reported_value": "1.01", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 0.37, "uncertainty_type": "SD", "uncertainty_uM": 0.37, "units": "µM", "value": 1.01, "value_operator": "=", "value_uM": 1.01, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.37", "source_reported_units": "µM", "source_reported_value": "1.01", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 0.37, "uncertainty_type": "SD", "uncertainty_uM": 0.37, "units": "µM", "value": 1.01, "value_operator": "=", "value_uM": 1.01, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 3 }, { "aliases": [ "UNC8325" ], "assay_count": 3, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Preparation identity unresolved" ], "compound_id": "PREP:UNC8325", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 3, "name": "UNC8325", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0018", "PWWP5:ASSAY:0019", "PWWP5:ASSAY:0020" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:UNC8325" ], "protein_ids": [ "UP:O96028" ], "relationships": [], "relevant": true, "search_text": "unc8325 prep:unc8325 unc8325 nsd2 up:o96028:pwwp1 {} pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y", "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.041, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "34cd22545b3f4d0dcb7700fb17f60c7ae38b6260baf4daba68042ffaff4b1da9", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0019", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "906a6639f496699c42beb3f9b15534b3f42e6ef6fbc97e2c23288ccff34c0051", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0019", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "3", "source_reported_units": "percent", "source_reported_value": "71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 3, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 71, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "3", "source_reported_units": "percent", "source_reported_value": "71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 3, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 71, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0020", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 0.71, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "ddbda8d03524fc8d89deead26c89dce2b599f8db2a2bff31ad91015294804847", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0020", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 0.25, "uncertainty_type": "SD", "uncertainty_uM": 0.25, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 0.25, "uncertainty_type": "SD", "uncertainty_uM": 0.25, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 3, "context_measured_count": 3, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 3, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": true, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": true, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:UNC8325", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 3, "name": "UNC8325", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": true, "primary_view": "studied", "protein_degradation": true, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0019", "PWWP5:ASSAY:0020", "PWWP5:ASSAY:0018" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 3, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0018": { "chemical_id": null, "compound_id": "PREP:UNC8325", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_type": "direct_binding", "explicitly_negative": false, "measured": true, "method": "SPR", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0018", "operator": "=", "positive_direct_binder": true, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "reported_cellular": false, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 1", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": "nM", "value": 41, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0019": { "chemical_id": null, "compound_id": "PREP:UNC8325", "domain_id": null, "endpoint": "Dmax", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0019", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 2", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "percent", "value": 71, "verification_status": "primary_source_verified" }, "PWWP5:ASSAY:0020": { "chemical_id": null, "compound_id": "PREP:UNC8325", "domain_id": null, "endpoint": "DC50", "evidence_type": "protein_degradation", "explicitly_negative": false, "measured": true, "method": "In-cell western degradation", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0020", "operator": "=", "positive_direct_binder": false, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "reported_cellular": true, "reported_control": false, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 2", "source_role": "reported_degrader", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": "µM", "value": 0.71, "verification_status": "primary_source_verified" } }, "example": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.041, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "34cd22545b3f4d0dcb7700fb17f60c7ae38b6260baf4daba68042ffaff4b1da9", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "SPR", "normalized_exact_uM": 0.041, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "34cd22545b3f4d0dcb7700fb17f60c7ae38b6260baf4daba68042ffaff4b1da9", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0018", "assay_type": "SPR Kd", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "Kd", "evidence_class": "direct_binding_affinity", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Exact domain is stated; assay construct boundaries and full buffer were not independently recovered. Original table image and supporting SPR panel inspected.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "19", "source_reported_units": "nM", "source_reported_value": "41", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": 19, "uncertainty_type": "SD", "uncertainty_uM": 0.019, "units": "nM", "value": 41, "value_operator": "=", "value_uM": 0.041, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0019", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": null, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "906a6639f496699c42beb3f9b15534b3f42e6ef6fbc97e2c23288ccff34c0051", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0019", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "Dmax", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "3", "source_reported_units": "percent", "source_reported_value": "71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 3, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 71, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "3", "source_reported_units": "percent", "source_reported_value": "71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 3, "uncertainty_type": "SD", "uncertainty_uM": null, "units": "percent", "value": 71, "value_operator": "=", "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0020", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8325", "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "In-cell western degradation", "normalized_exact_uM": 0.71, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "ddbda8d03524fc8d89deead26c89dce2b599f8db2a2bff31ad91015294804847", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0020", "assay_type": "In-cell western degradation", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8325", "conditions": { "cell_line": "U2OS" }, "domain": null, "domain_id": null, "endpoint": "DC50", "evidence_class": "cellular_protein_degradation", "evidence_location": "Table 1; Supplementary Figure 2", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "numeric_transcription_status": "source_preserved", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8325", "protein_id": "UP:O96028", "publication_year": 2024, "reference_id": "PMID:38965384", "remaining_uncertainty": "Cell line confirmed in Supplementary Figure 2; exact duration not filled from a different experiment.", "replicates": "3 independent experiments", "retrieval_date": "2026-10-26", "role": "reported_degrader", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": 0.25, "uncertainty_type": "SD", "uncertainty_uM": 0.25, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": "0.25", "source_reported_units": "µM", "source_reported_value": "0.71", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "protein_level", "uncertainty": 0.25, "uncertainty_type": "SD", "uncertainty_uM": 0.25, "units": "µM", "value": 0.71, "value_operator": "=", "value_uM": 0.71, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 3 }, { "aliases": [ "UNC8587" ], "assay_count": 1, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Experimental control", "Preparation identity unresolved" ], "compound_id": "PREP:UNC8587", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "identity_resolved": false, "is_control": true, "is_probe": false, "measured_observation_count": 1, "name": "UNC8587", "negative_count": 0, "observation_ids": [ "PWWP5:ASSAY:0014" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:UNC8587" ], "protein_ids": [ "UP:O96028" ], "relationships": [ { "object_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N", "object_preparation_id": "PREP:UNC8153", "original_object_id": "PREP:UNC8153", "original_subject_id": "PREP:UNC8587", "predicate": "negative_control_for", "relationship": "negative_control_for", "relationship_id": "P5:REL:UNC8587", "retrieval_date": "2026-10-26", "scope": "matched degradation-study negative control", "source_id": "P5:S:HANLEY2023", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "subject_id": "PREP:UNC8587", "subject_preparation_id": "PREP:UNC8587", "version": "phase5.chemical_curation.1.1.0" } ], "relevant": true, "search_text": "unc8587 prep:unc8587 unc8587 nsd2 {} pmid:36976643 2023 https://pmc.ncbi.nlm.nih.gov/articles/pmc10116495/", "source_urls": [ "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0014", "assay_type": "Immunoblot cellular control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8587", "compound_name": "UNC8587", "conditions": { "cell_line": "KMS11", "compound_concentration_uM": 20, "duration_days": 8, "readout": "H3K36me2" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Immunoblot cellular control", "negative_control_scope": "Matched isopropyl analog for the UNC8153 degradation study", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8587", "protein_id": "UP:O96028", "publication_year": 2023, "qualitative_result": "No change in H3K36me2 in the matched control condition.", "reference_id": "PMID:36976643", "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "302c68c860c3e02b3e97c55d2c94f62eb1e2eb85ea8f4e7b2fc5eaf753fc533c", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0014", "assay_type": "Immunoblot cellular control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8587", "conditions": { "cell_line": "KMS11", "compound_concentration_uM": 20, "duration_days": 8, "readout": "H3K36me2" }, "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "negative_control_scope": "Matched isopropyl analog for the UNC8153 degradation study", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8587", "protein_id": "UP:O96028", "publication_year": 2023, "qualitative_result": "No change in H3K36me2 in the matched control condition.", "reference_id": "PMID:36976643", "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 1, "context_measured_count": 1, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 1, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": true, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:UNC8587", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 1, "name": "UNC8587", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "studied", "protein_degradation": false, "reported_control": true, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0014" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 1, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0014": { "chemical_id": null, "compound_id": "PREP:UNC8587", "domain_id": null, "endpoint": "qualitative", "evidence_type": "qualitative_control", "explicitly_negative": false, "measured": true, "method": "Immunoblot cellular control", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0014", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:UNC8587", "protein_id": "UP:O96028", "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.", "reported_cellular": false, "reported_control": true, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:HANLEY2023", "source_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B", "source_role": "negative_control", "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "studied_compound": true, "target_scope": "protein_level", "target_variant": null, "units": null, "value": null, "verification_status": "primary_source_verified" } }, "example": null, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0014", "assay_type": "Immunoblot cellular control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8587", "compound_name": "UNC8587", "conditions": { "cell_line": "KMS11", "compound_concentration_uM": 20, "duration_days": 8, "readout": "H3K36me2" }, "curation_version": "phase5-1.0.0", "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": false, "method": "Immunoblot cellular control", "negative_control_scope": "Matched isopropyl analog for the UNC8153 degradation study", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8587", "protein_id": "UP:O96028", "publication_year": 2023, "qualitative_result": "No change in H3K36me2 in the matched control condition.", "reference_id": "PMID:36976643", "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:HANLEY2023", "source_measurement_key": "302c68c860c3e02b3e97c55d2c94f62eb1e2eb85ea8f4e7b2fc5eaf753fc533c", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "cellular_full_protein", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0014", "assay_type": "Immunoblot cellular control", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8587", "conditions": { "cell_line": "KMS11", "compound_concentration_uM": 20, "duration_days": 8, "readout": "H3K36me2" }, "domain": null, "domain_id": null, "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Results: UNC8153 degradation leads to loss of H3K36me2; Figure 5B", "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": false, "negative_control_scope": "Matched isopropyl analog for the UNC8153 degradation study", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8587", "protein_id": "UP:O96028", "publication_year": 2023, "qualitative_result": "No change in H3K36me2 in the matched control condition.", "reference_id": "PMID:36976643", "remaining_uncertainty": "This is a histone-mark cellular observation; it is not an exact NSD2-PWWP1 binding measurement.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:HANLEY2023", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1", "target_scope": "protein_level", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 1 }, { "aliases": [ "UNC8884" ], "assay_count": 1, "associated_pdb_ids": [], "bound_structure_count": 0, "category": "Bioactivity only", "chemical_id": null, "classifications": [ "Experimental control", "Negative / censored observations", "Preparation identity unresolved" ], "compound_id": "PREP:UNC8884", "curation_version": "phase5-1.0.0", "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "experimental_preparation", "genes": [ "NSD2" ], "has_bioactivity_only": true, "has_source_conflict": false, "identity": null, "identity_note": "Named experimental preparation supported by primary publication; no exact molecular depiction assigned until identity is independently resolved.", "identity_resolved": false, "is_control": true, "is_probe": false, "measured_observation_count": 1, "name": "UNC8884", "negative_count": 1, "observation_ids": [ "PWWP5:ASSAY:0024" ], "pdb_structure_count": 0, "preparation_count": 1, "preparation_ids": [ "PREP:UNC8884" ], "protein_ids": [ "UP:O96028" ], "relationships": [ { "object_id": "INCHIKEY:CSTHTJLTORVUST-UHFFFAOYSA-N", "object_preparation_id": "PREP:UNC8732", "original_object_id": "PREP:UNC8732", "original_subject_id": "PREP:UNC8884", "predicate": "negative_control_for", "relationship": "negative_control_for", "relationship_id": "P5:REL:UNC8884", "retrieval_date": "2026-10-26", "scope": "matched PWWP1-binding negative control", "source_id": "P5:S:NIE2024", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "subject_id": "PREP:UNC8884", "subject_preparation_id": "PREP:UNC8884", "version": "phase5.chemical_curation.1.1.0" } ], "relevant": true, "search_text": "unc8884 prep:unc8884 unc8884 nsd2 up:o96028:pwwp1 {} pmid:38965384 2024 https://www.nature.com/articles/s41589-024-01660-y", "source_urls": [ "https://www.nature.com/articles/s41589-024-01660-y" ], "verification_pending": false, "context_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0024", "assay_type": "SPR qualitative no binding", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8884", "compound_name": "UNC8884", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": true, "method": "SPR qualitative no binding", "negative_control_scope": "Matched NSD2 ligand-binding negative control", "negative_evidence_scope": "Explicit SPR NB result; no numeric threshold or affinity inferred.", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8884", "protein_id": "UP:O96028", "publication_year": 2024, "qualitative_result": "NB (no binding); no numeric Kd assigned.", "reference_id": "PMID:38965384", "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "2b77456b11abfbcb64d7d5a98234ece06ba3ec6d0db1756973ebad3949a3f39a", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0024", "assay_type": "SPR qualitative no binding", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8884", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": true, "negative_control_scope": "Matched NSD2 ligand-binding negative control", "negative_evidence_scope": "Explicit SPR NB result; no numeric threshold or affinity inferred.", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8884", "protein_id": "UP:O96028", "publication_year": 2024, "qualitative_result": "NB (no binding); no numeric Kd assigned.", "reference_id": "PMID:38965384", "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "context_structures": [], "context_assay_count": 1, "context_measured_count": 1, "context_bound_count": 0, "context_pdb_count": 0, "context_negative_count": 1, "context_is_probe": false, "context_bioactivity_only": true, "context_kind": "Bioactivity only", "science": { "studied_compound": true, "measured_count": 1, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": true, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": true, "research_site_count": 0, "unknown_site_count": 0, "annotation_roles": [ "studied", "unresolved" ] }, "science_label": "Studied · no deposited PWWP research ligand", "science_profile": { "annotation_roles": [ "studied", "unresolved" ], "cellular_activity": false, "chemical_id": null, "compound_id": "PREP:UNC8884", "entity_kind": "experimental_preparation", "identity_resolved": false, "measured_observation_count": 1, "name": "UNC8884", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "studied", "protein_degradation": false, "reported_control": true, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [ "PWWP5:ASSAY:0024" ], "source_site_ids": [], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": true, "total_observation_count": 1, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": {}, "science_assay_roles": { "PWWP5:ASSAY:0024": { "chemical_id": null, "compound_id": "PREP:UNC8884", "domain_id": "UP:O96028:PWWP1", "endpoint": "qualitative", "evidence_type": "qualitative_control", "explicitly_negative": true, "measured": true, "method": "SPR qualitative no binding", "molecular_entity_type": "small_molecule_preparation", "observation_id": "PWWP5:ASSAY:0024", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:UNC8884", "protein_id": "UP:O96028", "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.", "reported_cellular": false, "reported_control": true, "reported_probe": false, "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities", "source_id": "P5:S:NIE2024", "source_location": "Table 1; Supplementary Figure 1", "source_role": "negative_control", "source_url": "https://www.nature.com/articles/s41589-024-01660-y", "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "studied_compound": true, "target_scope": "domain_specific", "target_variant": null, "units": null, "value": null, "verification_status": "primary_source_verified" } }, "example": null, "matched_observations": [ { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0024", "assay_type": "SPR qualitative no binding", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_id": "PREP:UNC8884", "compound_name": "UNC8884", "conditions": {}, "curation_version": "phase5-1.0.0", "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_measured": true, "is_negative": true, "method": "SPR qualitative no binding", "negative_control_scope": "Matched NSD2 ligand-binding negative control", "negative_evidence_scope": "Explicit SPR NB result; no numeric threshold or affinity inferred.", "normalized_exact_uM": null, "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "organism": "Homo sapiens", "pdb_id": null, "preparation_id": "PREP:UNC8884", "protein_id": "UP:O96028", "publication_year": 2024, "qualitative_result": "NB (no binding); no numeric Kd assigned.", "reference_id": "PMID:38965384", "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_database": "Primary literature (Phase 5)", "source_id": "P5:S:NIE2024", "source_measurement_key": "2b77456b11abfbcb64d7d5a98234ece06ba3ec6d0db1756973ebad3949a3f39a", "source_original": { "assay_construct_end": null, "assay_construct_start": null, "assay_context": "purified_domain", "assay_organism": "Homo sapiens", "assay_record_id": "PWWP5:ASSAY:0024", "assay_type": "SPR qualitative no binding", "assay_value_transferred_to_modeled_stereoisomers": false, "ccd_id": null, "chemical_id": null, "compound_name": "UNC8884", "conditions": {}, "domain": "PWWP1", "domain_id": "UP:O96028:PWWP1", "endpoint": "qualitative", "evidence_class": "qualitative_control", "evidence_location": "Table 1; Supplementary Figure 1", "evidence_url": "https://www.nature.com/articles/s41589-024-01660-y", "gene": "NSD2", "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.", "is_negative": true, "negative_control_scope": "Matched NSD2 ligand-binding negative control", "negative_evidence_scope": "Explicit SPR NB result; no numeric threshold or affinity inferred.", "numeric_transcription_status": "qualitative_or_not_reported", "numeric_value_inferred_from_structure": false, "pdb_id": null, "preparation_id": "PREP:UNC8884", "protein_id": "UP:O96028", "publication_year": 2024, "qualitative_result": "NB (no binding); no numeric Kd assigned.", "reference_id": "PMID:38965384", "remaining_uncertainty": "Table reports NB for binding and ND for degradation endpoints; ND means not determined and is not converted to zero or inactivity.", "replicates": null, "retrieval_date": "2026-10-26", "role": "negative_control", "source_id": "P5:S:NIE2024", "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" }, "source_reported_uncertainty": null, "source_reported_units": null, "source_reported_value": null, "source_verification_scope": "Official publisher Table 1 image visually inspected; table footnote and Supplementary Figures 1-2 inspected; identities compared to primary structures", "target_scope": "domain_specific", "uncertainty": null, "uncertainty_type": null, "uncertainty_uM": null, "units": null, "value": null, "value_operator": null, "value_uM": null, "verification_level": "primary_source_verified", "version": "phase5.chemical_curation.1.1.0" } ], "matched_assay_count": 1 }, { "aliases": [ "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine" ], "assay_count": 0, "associated_pdb_ids": [ "7HH9" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "classifications": [], "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "LOFCJGPTBIGJGR-VIFPVBQESA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine" ], "ccd_ids": [ "A1A3W" ], "ccd_names": "[\"(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "connectivity_block": "LOFCJGPTBIGJGR", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A3W\": 0}", "formulae": "[\"C9 H14 N2\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "LOFCJGPTBIGJGR-SECBINFHSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "CC[C@@H](c1ccncc1)NC", "primary_name": "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A3W\": \"CC[C@@H](c1ccncc1)NC\"}", "source_metadata_sha256": "{\"A1A3W\": \"24422670d47c3f69b40e9e5fcf4302c8bc5a779a3472d689d6de59aebf2364bc\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3W" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "(1r)-n-methyl-1-(pyridin-4-yl)propan-1-amine inchikey:lofcjgptbigjgr-secbinfhsa-n (1r)-n-methyl-1-(pyridin-4-yl)propan-1-amine hdgfl2 up:q7z4v5:pwwp1 7hh9 {\"aliases\":[\"(1r)-n-methyl-1-(pyridin-4-yl)propan-1-amine\"],\"ccd_ids\":[\"a1a3w\"],\"ccd_names\":\"[\\\"(1r)-n-methyl-1-(pyridin-4-yl)propan-1-amine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:lofcjgptbigjgr-secbinfhsa-n\",\"connectivity_block\":\"lofcjgptbigjgr\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a3w\\\": 0}\",\"formulae\":\"[\\\"c9 h14 n2\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"lofcjgptbigjgr-secbinfhsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"cc[c@@h](c1ccncc1)nc\",\"primary_name\":\"(1r)-n-methyl-1-(pyridin-4-yl)propan-1-amine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a3w\\\": \\\"cc[c@@h](c1ccncc1)nc\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a3w\\\": \\\"24422670d47c3f69b40e9e5fcf4302c8bc5a779a3472d689d6de59aebf2364bc\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a3w\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3W" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1518, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3696, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3W", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1518, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3696, \"uniprot_position\": 31}]", "chain_id": "PDB:7HH9:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1518, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3696, \"uniprot_position\": 31}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "nearest_polypeptide_distance_angstrom": 2.6942, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.84, "occupancy_min": 0.84, "pdb_id": "7HH9", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1518, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3696, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1221, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4911, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4663, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5448, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6942, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8667, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH9/original.cif", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.1518, "minimum_chain_distance_angstrom": 3.1518, "minimum_core_distance_angstrom": 3.1518, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1221, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4911, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4663, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5448, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6942, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8667, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3W", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1221, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4911, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4663, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5448, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6942, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8667, \"uniprot_position\": 51}]", "chain_id": "PDB:7HH9:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1221, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4911, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4663, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5448, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6942, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8667, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "nearest_polypeptide_distance_angstrom": 2.6942, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.84, "occupancy_min": 0.84, "pdb_id": "7HH9", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1518, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3696, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1221, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4911, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4663, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5448, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6942, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8667, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH9/original.cif", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.6942, "minimum_chain_distance_angstrom": 2.6942, "minimum_core_distance_angstrom": 2.6942, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7615, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6279, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6916, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5102, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7182, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8128, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0789, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3W", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7615, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6279, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6916, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5102, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7182, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8128, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0789, \"uniprot_position\": 51}]", "chain_id": "PDB:7HH9:CHAIN:C:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7615, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6279, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6916, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5102, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7182, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8128, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0789, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "102", "ccd_id": "A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:7HH9:LIG:L:A1A3W:102:.", "nearest_polypeptide_distance_angstrom": 2.7182, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 0.62, "occupancy_min": 0.62, "pdb_id": "7HH9", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7615, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6279, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6916, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5102, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7182, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8128, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0789, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH9/original.cif", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HH9:LIG:L:A1A3W:102:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 2.7182, "minimum_chain_distance_angstrom": 2.7182, "minimum_core_distance_angstrom": 2.7182, "multiple_contacting_mapped_chains": 0, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH9:LIG:L:A1A3W:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 3, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "(1R)-N-methyl-1-(pyridin-4-yl)propan-1-amine", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:7HH9:LIG:L:A1A3W:102:.:SITE:UP:Q7Z4V5:PWWP1:C" ], "structural_research_ligand": true, "structural_research_site_count": 3, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "observed_other_component": false, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH9", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH9:LIG:J:A1A3W:103:.", "observed_other_component": false, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH9:LIG:J:A1A3W:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH9", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH9:LIG:L:A1A3W:102:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/A1A3W", "chemical_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "compound_id": "INCHIKEY:LOFCJGPTBIGJGR-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "baa408d905f4dbb19596c6c7614353ad9dfb1948f85ecf3031a405fb62d25c08", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH9:LIG:L:A1A3W:102:.", "observed_other_component": false, "pdb_id": "7HH9", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH9:LIG:L:A1A3W:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH9", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "(2R)-1-(cyclohexylamino)propan-2-ol" ], "assay_count": 0, "associated_pdb_ids": [ "7HHD" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "classifications": [], "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "HFHPBMVMXFZJNO-QMMMGPOBSA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "(2R)-1-(cyclohexylamino)propan-2-ol" ], "ccd_ids": [ "A1A3V" ], "ccd_names": "[\"(2R)-1-(cyclohexylamino)propan-2-ol\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "connectivity_block": "HFHPBMVMXFZJNO", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A3V\": 0}", "formulae": "[\"C9 H19 N O\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "HFHPBMVMXFZJNO-MRVPVSSYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "C[C@@H](CNC1CCCCC1)O", "primary_name": "(2R)-1-(cyclohexylamino)propan-2-ol", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A3V\": \"C[C@@H](CNC1CCCCC1)O\"}", "source_metadata_sha256": "{\"A1A3V\": \"76d3f00ab561bb56ff270096439169b206f9bfed5ccf15063b3fea8f6a817e8b\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3V" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "(2R)-1-(cyclohexylamino)propan-2-ol", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "(2r)-1-(cyclohexylamino)propan-2-ol inchikey:hfhpbmvmxfzjno-mrvpvssysa-n (2r)-1-(cyclohexylamino)propan-2-ol hdgfl2 up:q7z4v5:pwwp1 7hhd {\"aliases\":[\"(2r)-1-(cyclohexylamino)propan-2-ol\"],\"ccd_ids\":[\"a1a3v\"],\"ccd_names\":\"[\\\"(2r)-1-(cyclohexylamino)propan-2-ol\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:hfhpbmvmxfzjno-mrvpvssysa-n\",\"connectivity_block\":\"hfhpbmvmxfzjno\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a3v\\\": 0}\",\"formulae\":\"[\\\"c9 h19 n o\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"hfhpbmvmxfzjno-mrvpvssysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c[c@@h](cnc1ccccc1)o\",\"primary_name\":\"(2r)-1-(cyclohexylamino)propan-2-ol\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a3v\\\": \\\"c[c@@h](cnc1ccccc1)o\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a3v\\\": \\\"76d3f00ab561bb56ff270096439169b206f9bfed5ccf15063b3fea8f6a817e8b\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a3v\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3V" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2563, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8514, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3V", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2563, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8514, \"uniprot_position\": 31}]", "chain_id": "PDB:7HHD:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2563, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8514, \"uniprot_position\": 31}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3V", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "nearest_polypeptide_distance_angstrom": 2.5013, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.82, "occupancy_min": 0.82, "pdb_id": "7HHD", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2563, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8514, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.262, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6403, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6629, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7542, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5013, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HHD/original.cif", "source_coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.2563, "minimum_chain_distance_angstrom": 3.2563, "minimum_core_distance_angstrom": 3.2563, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HHD", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.262, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6403, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6629, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7542, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5013, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3V", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.262, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6403, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6629, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7542, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5013, \"uniprot_position\": 49}]", "chain_id": "PDB:7HHD:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.262, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6403, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6629, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7542, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5013, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3V", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "nearest_polypeptide_distance_angstrom": 2.5013, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.82, "occupancy_min": 0.82, "pdb_id": "7HHD", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2563, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8514, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.262, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6403, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6629, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7542, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.5013, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HHD/original.cif", "source_coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.5013, "minimum_chain_distance_angstrom": 2.5013, "minimum_core_distance_angstrom": 2.5013, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HHD", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 2, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "(2R)-1-(cyclohexylamino)propan-2-ol", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:B" ], "structural_research_ligand": true, "structural_research_site_count": 2, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A3V", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "observed_other_component": false, "pdb_id": "7HHD", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HHD", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A3V", "chemical_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "compound_id": "INCHIKEY:HFHPBMVMXFZJNO-MRVPVSSYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "96a76c3d4db63c21ddd5c258bbb56fa9b78d8b1461055348ae449330c5ab0453", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HHD:LIG:J:A1A3V:103:.", "observed_other_component": false, "pdb_id": "7HHD", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HHD:LIG:J:A1A3V:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HHD", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide" ], "assay_count": 0, "associated_pdb_ids": [ "7HGH" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "classifications": [], "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "KKBVPDRSYCAPEU-ZCFIWIBFSA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide" ], "ccd_ids": [ "A1A4A" ], "ccd_names": "[\"(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "connectivity_block": "KKBVPDRSYCAPEU", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A4A\": 0}", "formulae": "[\"C9 H13 N3 O2 S\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "KKBVPDRSYCAPEU-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "CCc1nnc(s1)NC(=O)[C@H]2CCCO2", "primary_name": "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A4A\": \"CCc1nnc(s1)NC(=O)[C@H]2CCCO2\"}", "source_metadata_sha256": "{\"A1A4A\": \"b1ef5a523d68914b3e27602b3185a59c4bd2d3393184fe071f92210ccd838198\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A4A" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "(2s)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide inchikey:kkbvpdrsycapeu-uhfffaoysa-n (2s)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide hdgfl2 up:q7z4v5:pwwp1 7hgh {\"aliases\":[\"(2s)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide\"],\"ccd_ids\":[\"a1a4a\"],\"ccd_names\":\"[\\\"(2s)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:kkbvpdrsycapeu-uhfffaoysa-n\",\"connectivity_block\":\"kkbvpdrsycapeu\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a4a\\\": 0}\",\"formulae\":\"[\\\"c9 h13 n3 o2 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"kkbvpdrsycapeu-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"ccc1nnc(s1)nc(=o)[c@h]2ccco2\",\"primary_name\":\"(2s)-n-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a4a\\\": \\\"ccc1nnc(s1)nc(=o)[c@h]2ccco2\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a4a\\\": \\\"b1ef5a523d68914b3e27602b3185a59c4bd2d3393184fe071f92210ccd838198\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a4a\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A4A" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2773, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4463, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A4A", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2773, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4463, \"uniprot_position\": 31}]", "chain_id": "PDB:7HGH:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": 29}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2773, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4463, \"uniprot_position\": 31}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A4A", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 15, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "nearest_polypeptide_distance_angstrom": 2.9902, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.8, "occupancy_min": 0.8, "pdb_id": "7HGH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2773, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4463, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7311, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0768, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5812, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.711, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.404, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGH/original.cif", "source_coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071", "unique_heavy_atom_names": 15 }, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.2773, "minimum_chain_distance_angstrom": 3.2773, "minimum_core_distance_angstrom": 3.2773, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HGH", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7311, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0768, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5812, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.711, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.404, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A4A", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7311, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0768, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5812, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.711, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.404, \"uniprot_position\": 49}]", "chain_id": "PDB:7HGH:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7311, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0768, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5812, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.711, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.404, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A4A", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 15, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "nearest_polypeptide_distance_angstrom": 2.9902, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.8, "occupancy_min": 0.8, "pdb_id": "7HGH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"29\", \"component\": \"ALA\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2773, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4463, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7311, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0768, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5812, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.711, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9902, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.404, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGH/original.cif", "source_coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071", "unique_heavy_atom_names": 15 }, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.9902, "minimum_chain_distance_angstrom": 2.9902, "minimum_core_distance_angstrom": 2.9902, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HGH", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 2, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "(2S)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:B" ], "structural_research_ligand": true, "structural_research_site_count": 2, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A4A", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "observed_other_component": false, "pdb_id": "7HGH", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGH", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A4A", "chemical_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "compound_id": "INCHIKEY:KKBVPDRSYCAPEU-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "e8175d471c5215a7106b7213ee03086e157c659d0f8c163ee2397889e9ffb071", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGH:LIG:J:A1A4A:103:.", "observed_other_component": false, "pdb_id": "7HGH", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGH:LIG:J:A1A4A:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGH", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine" ], "assay_count": 0, "associated_pdb_ids": [ "7HH4" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "classifications": [], "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "QLSDWIHANVSIEK-VIFPVBQESA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine", "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine" ], "ccd_ids": [ "A1A39", "W0J" ], "ccd_names": "[\"(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine\", \"(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "connectivity_block": "QLSDWIHANVSIEK", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A39\": 0, \"W0J\": 0}", "formulae": "[\"C10 H16 N4\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "QLSDWIHANVSIEK-SECBINFHSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "CN[C@H]1CCCN(C1)c2cccnn2", "primary_name": "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A39\": \"CN[C@H]1CCCN(C1)c2cccnn2\", \"W0J\": \"CN[C@@H]1CCCN(C1)c2cccnn2\"}", "source_metadata_sha256": "{\"A1A39\": \"2be522259f301178b4d88aa30a7235ea4cea61815a50d4fd9ab61e6e3b8ca0f2\", \"W0J\": \"c2753fb75957a645377712a5150bf6f4936b9d75c14980ce3deeb8d2e7f1d734\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A39", "https://www.rcsb.org/ligand/W0J" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine inchikey:qlsdwihanvsiek-secbinfhsa-n (3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine hdgfl2 up:q7z4v5:pwwp1 7hh4 {\"aliases\":[\"(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine\",\"(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine\"],\"ccd_ids\":[\"a1a39\",\"w0j\"],\"ccd_names\":\"[\\\"(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine\\\", \\\"(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:qlsdwihanvsiek-secbinfhsa-n\",\"connectivity_block\":\"qlsdwihanvsiek\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a39\\\": 0, \\\"w0j\\\": 0}\",\"formulae\":\"[\\\"c10 h16 n4\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"qlsdwihanvsiek-secbinfhsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"cn[c@h]1cccn(c1)c2cccnn2\",\"primary_name\":\"(3r)-n-methyl-1-(pyridazin-3-yl)piperidin-3-amine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a39\\\": \\\"cn[c@h]1cccn(c1)c2cccnn2\\\", \\\"w0j\\\": \\\"cn[c@@h]1cccn(c1)c2cccnn2\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a39\\\": \\\"2be522259f301178b4d88aa30a7235ea4cea61815a50d4fd9ab61e6e3b8ca0f2\\\", \\\"w0j\\\": \\\"c2753fb75957a645377712a5150bf6f4936b9d75c14980ce3deeb8d2e7f1d734\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a39\",\"https://www.rcsb.org/ligand/w0j\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A39", "https://www.rcsb.org/ligand/W0J" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0332, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1045, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7254, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3607, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7257, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1122, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7537, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6035, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A39", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0332, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1045, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7254, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3607, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7257, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1122, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7537, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6035, \"uniprot_position\": 51}]", "chain_id": "PDB:7HH4:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0332, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1045, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7254, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3607, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7257, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1122, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7537, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6035, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "104", "ccd_id": "A1A39", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 14, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:7HH4:LIG:G:A1A39:104:.", "nearest_polypeptide_distance_angstrom": 2.1122, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.6, "occupancy_min": 0.6, "pdb_id": "7HH4", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0332, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1045, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7254, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3607, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7257, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1122, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7537, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6035, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH4/original.cif", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "unique_heavy_atom_names": 14 }, "ligand_instance_id": "PDB:7HH4:LIG:G:A1A39:104:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.1122, "minimum_chain_distance_angstrom": 2.1122, "minimum_core_distance_angstrom": 2.1122, "multiple_contacting_mapped_chains": 0, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH4:LIG:G:A1A39:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4226, \"uniprot_position\": 30}]", "biochemical_activity_inferred": 0, "ccd_id": "W0J", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4226, \"uniprot_position\": 30}]", "chain_id": "PDB:7HH4:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4226, \"uniprot_position\": 30}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 14, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "nearest_polypeptide_distance_angstrom": 2.7243, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.64, "occupancy_min": 0.64, "pdb_id": "7HH4", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4226, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5941, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5681, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4428, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6781, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7243, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8872, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH4/original.cif", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "unique_heavy_atom_names": 14 }, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.4226, "minimum_chain_distance_angstrom": 3.4226, "minimum_core_distance_angstrom": 3.4226, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5941, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5681, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4428, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6781, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7243, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8872, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "W0J", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5941, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5681, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4428, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6781, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7243, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8872, \"uniprot_position\": 49}]", "chain_id": "PDB:7HH4:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5941, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5681, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4428, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6781, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7243, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8872, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 14, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "nearest_polypeptide_distance_angstrom": 2.7243, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.64, "occupancy_min": 0.64, "pdb_id": "7HH4", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4226, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5941, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5681, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4428, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6781, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7243, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8872, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH4/original.cif", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "unique_heavy_atom_names": 14 }, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 2.7243, "minimum_chain_distance_angstrom": 2.7243, "minimum_core_distance_angstrom": 2.7243, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4874, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4769, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4265, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5558, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2422, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0241, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0298, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "W0J", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4874, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4769, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4265, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5558, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2422, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0241, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0298, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 51}]", "chain_id": "PDB:7HH4:CHAIN:C:UP:Q7Z4V5", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4874, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4769, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4265, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5558, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2422, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0241, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0298, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "102", "ccd_id": "W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 14, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:7HH4:LIG:M:W0J:102:.", "nearest_polypeptide_distance_angstrom": 3.0241, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 0.5, "occupancy_min": 0.5, "pdb_id": "7HH4", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4874, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4769, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4265, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5558, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2422, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0241, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0298, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH4/original.cif", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "unique_heavy_atom_names": 14 }, "ligand_instance_id": "PDB:7HH4:LIG:M:W0J:102:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 3.0241, "minimum_chain_distance_angstrom": 3.0241, "minimum_core_distance_angstrom": 3.0241, "multiple_contacting_mapped_chains": 0, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH4:LIG:M:W0J:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 4, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HH4:LIG:G:A1A39:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:7HH4:LIG:M:W0J:102:.:SITE:UP:Q7Z4V5:PWWP1:C" ], "structural_research_ligand": true, "structural_research_site_count": 4, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HH4:LIG:G:A1A39:104:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A39", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH4:LIG:G:A1A39:104:.", "observed_other_component": false, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH4:LIG:G:A1A39:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH4", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "observed_other_component": false, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH4", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH4:LIG:K:W0J:103:.", "observed_other_component": false, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH4:LIG:K:W0J:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH4", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH4:LIG:M:W0J:102:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/W0J", "chemical_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "compound_id": "INCHIKEY:QLSDWIHANVSIEK-SECBINFHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "510e664fc490fc6f401324f1ab8850f0e0dcd84c18bb674bd7a5d054beea887a", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH4:LIG:M:W0J:102:.", "observed_other_component": false, "pdb_id": "7HH4", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH4:LIG:M:W0J:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH4", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine" ], "assay_count": 0, "associated_pdb_ids": [ "7HH3" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "classifications": [], "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "DBSDZVMWEMKFCH-MRVPVSSYSA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine" ], "ccd_ids": [ "A1A3X" ], "ccd_names": "[\"2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "connectivity_block": "DBSDZVMWEMKFCH", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A3X\": 0}", "formulae": "[\"C8 H18 N2\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "DBSDZVMWEMKFCH-QMMMGPOBSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "C[C@@H]1CCCCN1CCN", "primary_name": "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A3X\": \"C[C@@H]1CCCCN1CCN\"}", "source_metadata_sha256": "{\"A1A3X\": \"6c6294dbc7746534bb0ad3359d772fecdfa773fa15edb9f02271df26f2745101\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3X" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "2-[(2s)-2-methylpiperidin-1-yl]ethan-1-amine inchikey:dbsdzvmwemkfch-qmmmgpobsa-n 2-[(2s)-2-methylpiperidin-1-yl]ethan-1-amine hdgfl2 up:q7z4v5:pwwp1 7hh3 {\"aliases\":[\"2-[(2s)-2-methylpiperidin-1-yl]ethan-1-amine\"],\"ccd_ids\":[\"a1a3x\"],\"ccd_names\":\"[\\\"2-[(2s)-2-methylpiperidin-1-yl]ethan-1-amine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:dbsdzvmwemkfch-qmmmgpobsa-n\",\"connectivity_block\":\"dbsdzvmwemkfch\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a3x\\\": 0}\",\"formulae\":\"[\\\"c8 h18 n2\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"dbsdzvmwemkfch-qmmmgpobsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c[c@@h]1ccccn1ccn\",\"primary_name\":\"2-[(2s)-2-methylpiperidin-1-yl]ethan-1-amine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a3x\\\": \\\"c[c@@h]1ccccn1ccn\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a3x\\\": \\\"6c6294dbc7746534bb0ad3359d772fecdfa773fa15edb9f02271df26f2745101\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a3x\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A3X" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.36, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1218, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3X", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.36, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1218, \"uniprot_position\": 31}]", "chain_id": "PDB:7HH3:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.36, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1218, \"uniprot_position\": 31}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3X", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 10, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "nearest_polypeptide_distance_angstrom": 2.9236, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.84, "occupancy_min": 0.84, "pdb_id": "7HH3", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.36, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1218, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8184, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.288, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7382, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4652, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9236, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9606, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH3/original.cif", "source_coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e", "unique_heavy_atom_names": 10 }, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.36, "minimum_chain_distance_angstrom": 3.36, "minimum_core_distance_angstrom": 3.36, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH3", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8184, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.288, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7382, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4652, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9236, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9606, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A3X", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8184, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.288, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7382, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4652, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9236, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9606, \"uniprot_position\": 51}]", "chain_id": "PDB:7HH3:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8184, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.288, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7382, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4652, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9236, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9606, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A3X", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 10, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "nearest_polypeptide_distance_angstrom": 2.9236, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.84, "occupancy_min": 0.84, "pdb_id": "7HH3", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.36, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1218, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8184, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.288, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7382, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5212, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4652, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9236, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9606, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HH3/original.cif", "source_coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e", "unique_heavy_atom_names": 10 }, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.9236, "minimum_chain_distance_angstrom": 2.9236, "minimum_core_distance_angstrom": 2.9236, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HH3", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 2, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:B" ], "structural_research_ligand": true, "structural_research_site_count": 2, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A3X", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "observed_other_component": false, "pdb_id": "7HH3", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH3", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A3X", "chemical_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "compound_id": "INCHIKEY:DBSDZVMWEMKFCH-QMMMGPOBSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "7ffb4732b6b4b645ba00c198aab7bdaf9256298ac5cff11dde038751a0fd091e", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HH3:LIG:J:A1A3X:103:.", "observed_other_component": false, "pdb_id": "7HH3", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HH3:LIG:J:A1A3X:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HH3", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide" ], "assay_count": 0, "associated_pdb_ids": [ "29HI" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "classifications": [], "compound_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "AIMZAKOWTDKKHP-UUASQNMZSA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:O96028:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "NSD2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide" ], "ccd_ids": [ "A1J21" ], "ccd_names": "[\"4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "connectivity_block": "AIMZAKOWTDKKHP", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1J21\": 0}", "formulae": "[\"C37 H40 N4 O6\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "AIMZAKOWTDKKHP-HNECRKQMSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "CC(/C=C\\C1=NC(=O)COC1)C(=O)N(Cc2ccc(cc2)C(=O)Nc3cccc(c3)CCN(C)C(=O)c4ccc(cc4)CO)C5CC5", "primary_name": "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1J21\": \"CC(/C=C\\\\C1=NC(=O)COC1)C(=O)N(Cc2ccc(cc2)C(=O)Nc3cccc(c3)CCN(C)C(=O)c4ccc(cc4)CO)C5CC5\"}", "source_metadata_sha256": "{\"A1J21\": \"5ee47f728e943dd3df5f1f65970fbd65471253754b62df61fadb7fc88f14902a\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1J21" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:O96028" ], "relationships": [], "relevant": true, "search_text": "4-[[cyclopropyl-[(~{z})-2-methyl-4-(5-oxidanylidene-2~{h}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{n}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide inchikey:aimzakowtdkkhp-hnecrkqmsa-n 4-[[cyclopropyl-[(~{z})-2-methyl-4-(5-oxidanylidene-2~{h}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{n}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide nsd2 up:o96028:pwwp1 29hi {\"aliases\":[\"4-[[cyclopropyl-[(~{z})-2-methyl-4-(5-oxidanylidene-2~{h}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{n}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide\"],\"ccd_ids\":[\"a1j21\"],\"ccd_names\":\"[\\\"4-[[cyclopropyl-[(~{z})-2-methyl-4-(5-oxidanylidene-2~{h}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{n}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:aimzakowtdkkhp-hnecrkqmsa-n\",\"connectivity_block\":\"aimzakowtdkkhp\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1j21\\\": 0}\",\"formulae\":\"[\\\"c37 h40 n4 o6\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"aimzakowtdkkhp-hnecrkqmsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"cc(/c=c\\\\c1=nc(=o)coc1)c(=o)n(cc2ccc(cc2)c(=o)nc3cccc(c3)ccn(c)c(=o)c4ccc(cc4)co)c5cc5\",\"primary_name\":\"4-[[cyclopropyl-[(~{z})-2-methyl-4-(5-oxidanylidene-2~{h}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{n}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1j21\\\": \\\"cc(/c=c\\\\\\\\c1=nc(=o)coc1)c(=o)n(cc2ccc(cc2)c(=o)nc3cccc(c3)ccn(c)c(=o)c4ccc(cc4)co)c5cc5\\\"}\",\"source_metadata_sha256\":\"{\\\"a1j21\\\": \\\"5ee47f728e943dd3df5f1f65970fbd65471253754b62df61fadb7fc88f14902a\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1j21\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1J21" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": 275}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": 321}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0131, \"uniprot_position\": 324}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5302, \"uniprot_position\": 328}]", "biochemical_activity_inferred": 0, "ccd_id": "A1J21", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": 275}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": 321}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0131, \"uniprot_position\": 324}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5302, \"uniprot_position\": 328}]", "chain_id": "PDB:29HI:CHAIN:B:UP:O96028", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "501", "ccd_id": "A1J21", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"F-box only protein 22\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"A\", \"sequence_length\": 403, \"uniprot_ids\": [\"Q8NEZ5\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 1365, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 47, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "nearest_polypeptide_distance_angstrom": 1.7533, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "29HI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1214, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 229, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7295, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"326\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7533, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 327, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9125, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"328\", \"component\": \"GLY\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7452, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"329\", \"component\": \"ARG\", \"entity_position\": 329, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1467, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"359\", \"component\": \"GLY\", \"entity_position\": 359, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7672, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"360\", \"component\": \"ASN\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7381, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"362\", \"component\": \"GLU\", \"entity_position\": 362, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9625, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"389\", \"component\": \"SER\", \"entity_position\": 389, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9418, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"390\", \"component\": \"TYR\", \"entity_position\": 390, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2452, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"391\", \"component\": \"THR\", \"entity_position\": 391, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2479, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0131, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5302, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/29HI/original.cif", "source_coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd", "unique_heavy_atom_names": 47 }, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.259, "minimum_chain_distance_angstrom": 2.259, "minimum_core_distance_angstrom": 2.259, "multiple_contacting_mapped_chains": 0, "pdb_id": "29HI", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally studied degrader", "role_category": "functional", "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "A1J21", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": 267}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": 275}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": 321}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0131, \"uniprot_position\": 324}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5302, \"uniprot_position\": 328}]", "chain_id": "PDB:29HI:CHAIN:B:UP:O96028", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "501", "ccd_id": "A1J21", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"F-box only protein 22\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"A\", \"sequence_length\": 403, \"uniprot_ids\": [\"Q8NEZ5\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 1365, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 47, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "nearest_polypeptide_distance_angstrom": 1.7533, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "29HI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1214, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 229, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7295, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"326\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7533, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 327, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9125, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"328\", \"component\": \"GLY\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7452, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"329\", \"component\": \"ARG\", \"entity_position\": 329, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1467, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"359\", \"component\": \"GLY\", \"entity_position\": 359, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7672, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"360\", \"component\": \"ASN\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7381, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"362\", \"component\": \"GLU\", \"entity_position\": 362, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9625, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"389\", \"component\": \"SER\", \"entity_position\": 389, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9418, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"390\", \"component\": \"TYR\", \"entity_position\": 390, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2452, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"391\", \"component\": \"THR\", \"entity_position\": 391, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2479, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 230, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8527, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 233, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 251, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.205, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 266, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 267, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0913, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 268, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.161, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 269, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.259, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9707, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9318, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8456, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6534, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2811, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0131, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5302, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/29HI/original.cif", "source_coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd", "unique_heavy_atom_names": 47 }, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.259, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "29HI", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally studied degrader", "role_category": "functional", "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP2:B", "source_coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 1, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "compound_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "4-[[cyclopropyl-[(~{Z})-2-methyl-4-(5-oxidanylidene-2~{H}-1,4-oxazin-3-yl)but-3-enoyl]amino]methyl]-~{N}-[3-[2-[[4-(hydroxymethyl)phenyl]carbonyl-methyl-amino]ethyl]phenyl]benzamide", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP2:B", "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP1:B" ], "structural_research_ligand": true, "structural_research_site_count": 1, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1J21", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "compound_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "observed_other_component": false, "pdb_id": "29HI", "protein_id": "UP:O96028", "role_code": "reported_degrader_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP1:B", "source_role": "experimentally studied degrader", "source_url": "https://www.rcsb.org/structure/29HI", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP2:B": { "ccd_url": "https://www.rcsb.org/ligand/A1J21", "chemical_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "compound_id": "INCHIKEY:AIMZAKOWTDKKHP-HNECRKQMSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c006a7e843b63ecfdfaf2bcda3c6f288df350def6fa1f60ed8201cbe9fbdeafd", "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:29HI:LIG:F:A1J21:501:.", "observed_other_component": false, "pdb_id": "29HI", "protein_id": "UP:O96028", "role_code": "reported_degrader_structural_ligand", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:29HI:LIG:F:A1J21:501:.:SITE:UP:O96028:PWWP2:B", "source_role": "experimentally studied degrader", "source_url": "https://www.rcsb.org/structure/29HI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol" ], "assay_count": 0, "associated_pdb_ids": [ "7HGV" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "classifications": [], "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "computed_inchikey": "LZXLHLSTUPFULX-SECBINFHSA-N", "status": "source_smiles_inchikey_disagreement_no_depiction" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q7Z4V5:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "HDGFL2" ], "has_bioactivity_only": false, "has_source_conflict": true, "identity": { "aliases": [ "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol" ], "ccd_ids": [ "A1A33" ], "ccd_names": "[\"[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "connectivity_block": "LZXLHLSTUPFULX", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"A1A33\": 0}", "formulae": "[\"C9 H19 N O\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "LZXLHLSTUPFULX-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "CC(C)N1CCC[C@H](C1)CO", "primary_name": "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"A1A33\": \"CC(C)N1CCC[C@H](C1)CO\"}", "source_metadata_sha256": "{\"A1A33\": \"04fce4aaaa056e541ba471a86a074d9573cb7fd93beabdff1fa7ac8e8900a501\"}", "source_urls": [ "https://www.rcsb.org/ligand/A1A33" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q7Z4V5" ], "relationships": [], "relevant": true, "search_text": "[(3s)-1-(propan-2-yl)piperidin-3-yl]methanol inchikey:lzxlhlstupfulx-uhfffaoysa-n [(3s)-1-(propan-2-yl)piperidin-3-yl]methanol hdgfl2 up:q7z4v5:pwwp1 7hgv {\"aliases\":[\"[(3s)-1-(propan-2-yl)piperidin-3-yl]methanol\"],\"ccd_ids\":[\"a1a33\"],\"ccd_names\":\"[\\\"[(3s)-1-(propan-2-yl)piperidin-3-yl]methanol\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:lzxlhlstupfulx-uhfffaoysa-n\",\"connectivity_block\":\"lzxlhlstupfulx\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"a1a33\\\": 0}\",\"formulae\":\"[\\\"c9 h19 n o\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"lzxlhlstupfulx-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"cc(c)n1ccc[c@h](c1)co\",\"primary_name\":\"[(3s)-1-(propan-2-yl)piperidin-3-yl]methanol\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"a1a33\\\": \\\"cc(c)n1ccc[c@h](c1)co\\\"}\",\"source_metadata_sha256\":\"{\\\"a1a33\\\": \\\"04fce4aaaa056e541ba471a86a074d9573cb7fd93beabdff1fa7ac8e8900a501\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/a1a33\"]}", "source_urls": [ "https://www.rcsb.org/ligand/A1A33" ], "verification_pending": true, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8195, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1047, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3707, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.844, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0623, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A33", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8195, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1047, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3707, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.844, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0623, \"uniprot_position\": 51}]", "chain_id": "PDB:7HGV:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8195, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1047, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3707, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.844, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0623, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "104", "ccd_id": "A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:7HGV:LIG:G:A1A33:104:.", "nearest_polypeptide_distance_angstrom": 2.844, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.6, "occupancy_min": 0.6, "pdb_id": "7HGV", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8195, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1047, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3707, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.844, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1474, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0623, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGV/original.cif", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HGV:LIG:G:A1A33:104:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.844, "minimum_chain_distance_angstrom": 2.844, "minimum_core_distance_angstrom": 2.844, "multiple_contacting_mapped_chains": 0, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5001, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7167, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A33", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5001, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7167, \"uniprot_position\": 31}]", "chain_id": "PDB:7HGV:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5001, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7167, \"uniprot_position\": 31}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "nearest_polypeptide_distance_angstrom": 2.9142, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.9, "occupancy_min": 0.9, "pdb_id": "7HGV", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5001, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7167, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8152, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5497, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7699, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7073, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9142, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0244, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2801, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGV/original.cif", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.7167, "minimum_chain_distance_angstrom": 3.7167, "minimum_core_distance_angstrom": 3.7167, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5497, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7699, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7073, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9142, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0244, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2801, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A33", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5497, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7699, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7073, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9142, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0244, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2801, \"uniprot_position\": 51}]", "chain_id": "PDB:7HGV:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5497, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7699, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7073, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9142, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0244, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2801, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "103", "ccd_id": "A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "nearest_polypeptide_distance_angstrom": 2.9142, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.9, "occupancy_min": 0.9, "pdb_id": "7HGV", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5001, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7167, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8152, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5497, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7699, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7073, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9142, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0244, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2801, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGV/original.cif", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 2.9142, "minimum_chain_distance_angstrom": 2.9142, "minimum_core_distance_angstrom": 2.9142, "multiple_contacting_mapped_chains": 1, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5759, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1999, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5304, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7383, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6932, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9674, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5078, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5336, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "A1A33", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5759, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1999, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5304, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7383, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6932, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9674, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5078, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5336, \"uniprot_position\": 51}]", "chain_id": "PDB:7HGV:CHAIN:C:UP:Q7Z4V5", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5759, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1999, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5304, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7383, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6932, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9674, \"uniprot_position\": 49}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5078, \"uniprot_position\": 50}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5336, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "102", "ccd_id": "A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 11, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:7HGV:LIG:M:A1A33:102:.", "nearest_polypeptide_distance_angstrom": 2.9674, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 0.64, "occupancy_min": 0.64, "pdb_id": "7HGV", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5759, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1999, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5304, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7383, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6932, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9674, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5078, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5336, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Co-Crystals/7HGV/original.cif", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "unique_heavy_atom_names": 11 }, "ligand_instance_id": "PDB:7HGV:LIG:M:A1A33:102:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 2.9674, "minimum_chain_distance_angstrom": 2.9674, "minimum_core_distance_angstrom": 2.9674, "multiple_contacting_mapped_chains": 0, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "experimentally deposited fragment", "role_category": "functional", "site_id": "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": true, "research_pdb_count": 1, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 4, "unknown_site_count": 0, "annotation_roles": [ "structural", "unresolved" ] }, "science_label": "Deposited research ligand · no curated assay", "science_profile": { "annotation_roles": [ "structural", "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "[(3S)-1-(propan-2-yl)piperidin-3-yl]methanol", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "structural", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C" ], "structural_research_ligand": true, "structural_research_site_count": 4, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 0, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGV:LIG:G:A1A33:104:.", "observed_other_component": false, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGV:LIG:G:A1A33:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGV", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "observed_other_component": false, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGV", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGV:LIG:K:A1A33:103:.", "observed_other_component": false, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGV:LIG:K:A1A33:103:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGV", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/A1A33", "chemical_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "compound_id": "INCHIKEY:LZXLHLSTUPFULX-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fe1cd4a27d551a8b13bcaa79554d9465554b4cef3df247fcbe05f1598bea4c6f", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:7HGV:LIG:M:A1A33:102:.", "observed_other_component": false, "pdb_id": "7HGV", "protein_id": "UP:Q7Z4V5", "role_code": "screened_fragment_structure", "role_group": "research_ligand", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7HGV:LIG:M:A1A33:102:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "experimentally deposited fragment", "source_url": "https://www.rcsb.org/structure/7HGV", "structural_research_ligand": true, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "CYSTEINESULFONIC ACID" ], "assay_count": 0, "associated_pdb_ids": [ "3LYI" ], "bound_structure_count": 1, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "classifications": [], "compound_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "curation_version": "phase5-1.0.0", "depiction": { "calculated_HBA": 4, "calculated_HBD": 3, "calculated_TPSA": 117.69, "calculated_formula": "C3H7NO5S", "calculated_logP": -1.7139, "calculated_molecular_weight": 169.158, "computed_inchikey": "XVOYSCVBGLVSOL-REOHCLBHSA-N", "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement", "files": { "dark": "4b1c22b4dbbdb5177b81-dark.svg", "light": "4b1c22b4dbbdb5177b81-light.svg" }, "rdkit_version": "2025.09.3", "status": "verified_smiles_full_inchikey_match" }, "development_status": "Not independently curated", "domain_ids": [ "UP:O95696:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "BRD1" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "CYSTEINESULFONIC ACID" ], "ccd_ids": [ "OCS" ], "ccd_names": "[\"CYSTEINESULFONIC ACID\"]", "ccd_types": "[\"L-peptide linking\"]", "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "connectivity_block": "XVOYSCVBGLVSOL", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"OCS\": 0}", "formulae": "[\"C3 H7 N O5 S\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "XVOYSCVBGLVSOL-REOHCLBHSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "C([C@@H](C(=O)O)N)S(=O)(=O)O", "primary_name": "CYSTEINESULFONIC ACID", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"OCS\": \"C([C@@H](C(=O)O)N)S(=O)(=O)O\"}", "source_metadata_sha256": "{\"OCS\": \"be1ee78a9f49ad50013773915d693f4719e23002f8f1d1b196b80b1a91ed9b20\"}", "source_urls": [ "https://www.rcsb.org/ligand/OCS" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "CYSTEINESULFONIC ACID", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:O95696" ], "relationships": [], "relevant": false, "search_text": "cysteinesulfonic acid inchikey:xvoyscvbglvsol-reohclbhsa-n cysteinesulfonic acid brd1 up:o95696:pwwp1 3lyi {\"aliases\":[\"cysteinesulfonic acid\"],\"ccd_ids\":[\"ocs\"],\"ccd_names\":\"[\\\"cysteinesulfonic acid\\\"]\",\"ccd_types\":\"[\\\"l-peptide linking\\\"]\",\"chemical_id\":\"inchikey:xvoyscvbglvsol-reohclbhsa-n\",\"connectivity_block\":\"xvoyscvbglvsol\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"ocs\\\": 0}\",\"formulae\":\"[\\\"c3 h7 n o5 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"xvoyscvbglvsol-reohclbhsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c([c@@h](c(=o)o)n)s(=o)(=o)o\",\"primary_name\":\"cysteinesulfonic acid\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"ocs\\\": \\\"c([c@@h](c(=o)o)n)s(=o)(=o)o\\\"}\",\"source_metadata_sha256\":\"{\\\"ocs\\\": \\\"be1ee78a9f49ad50013773915d693f4719e23002f8f1d1b196b80b1a91ed9b20\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/ocs\"]}", "source_urls": [ "https://www.rcsb.org/ligand/OCS" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0798, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0745, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3395, \"uniprot_position\": 943}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"991\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7568, \"uniprot_position\": 991}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"993\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8984, \"uniprot_position\": 993}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"SER\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.709, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"TRP\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7625, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3409, \"uniprot_position\": 999}]", "biochemical_activity_inferred": 0, "ccd_id": "OCS", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0798, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0745, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3395, \"uniprot_position\": 943}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"991\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7568, \"uniprot_position\": 991}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"993\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8984, \"uniprot_position\": 993}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"SER\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.709, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"TRP\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7625, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3409, \"uniprot_position\": 999}]", "chain_id": "PDB:3LYI:CHAIN:A:UP:O95696", "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0798, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0745, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3395, \"uniprot_position\": 943}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"991\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7568, \"uniprot_position\": 991}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"993\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8984, \"uniprot_position\": 993}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"SER\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.709, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"TRP\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7625, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3409, \"uniprot_position\": 999}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": true, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1500", "ccd_id": "OCS", "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 126, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 10, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:3LYI:LIG:C:OCS:1500:.", "nearest_polypeptide_distance_angstrom": 3.3409, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3LYI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0798, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0745, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3395, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"991\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7568, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"993\", \"component\": \"ASP\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8984, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"SER\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.709, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"TRP\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7625, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3409, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Unclassified_Review/3LYI/original.cif", "source_coordinate_sha256": "daab1f3e3c0ac65876a2031e90670a8d78fe37c492066102a302bc9d9a917097", "unique_heavy_atom_names": 10 }, "ligand_instance_id": "PDB:3LYI:LIG:C:OCS:1500:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 3.3409, "minimum_chain_distance_angstrom": 3.3409, "minimum_core_distance_angstrom": 3.3409, "multiple_contacting_mapped_chains": 0, "pdb_id": "3LYI", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3LYI:LIG:C:OCS:1500:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "daab1f3e3c0ac65876a2031e90670a8d78fe37c492066102a302bc9d9a917097" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 1, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 1, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "compound_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "CYSTEINESULFONIC ACID", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:3LYI:LIG:C:OCS:1500:.:SITE:UP:O95696:PWWP1:A" ], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 1, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:3LYI:LIG:C:OCS:1500:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/OCS", "chemical_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "compound_id": "INCHIKEY:XVOYSCVBGLVSOL-REOHCLBHSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "daab1f3e3c0ac65876a2031e90670a8d78fe37c492066102a302bc9d9a917097", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3LYI:LIG:C:OCS:1500:.", "observed_other_component": false, "pdb_id": "3LYI", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3LYI:LIG:C:OCS:1500:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3LYI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "N-TRIMETHYLLYSINE" ], "assay_count": 0, "associated_pdb_ids": [ "2X4W", "2X4X", "2X4Y", "3MO8", "3QBY", "3QJ6", "4N4H", "4N4I", "5CIU", "6IIS" ], "bound_structure_count": 10, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "classifications": [], "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "curation_version": "phase5-1.0.0", "depiction": { "calculated_HBA": 2, "calculated_HBD": 2, "calculated_TPSA": 63.32, "calculated_formula": "C9H21N2O2+", "calculated_logP": 0.2748, "calculated_molecular_weight": 189.279, "computed_inchikey": "MXNRLFUSFKVQSK-QMMMGPOBSA-O", "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement", "files": { "dark": "aa657b4e2dd68a2c7900-dark.svg", "light": "aa657b4e2dd68a2c7900-light.svg" }, "rdkit_version": "2025.09.3", "status": "verified_smiles_full_inchikey_match" }, "development_status": "Not independently curated", "domain_ids": [ "UP:P55201:PWWP1", "UP:Q7Z4V5:PWWP1", "UP:Q8R5C8:PWWP1", "UP:Q9UBC3:PWWP1", "UP:Q9Y3E1:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "BRPF1", "DNMT3B", "HDGFL2", "HDGFL3", "Zmynd11" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "N-TRIMETHYLLYSINE" ], "ccd_ids": [ "M3L" ], "ccd_names": "[\"N-TRIMETHYLLYSINE\"]", "ccd_types": "[\"L-PEPTIDE LINKING\"]", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "connectivity_block": "MXNRLFUSFKVQSK", "curated_source_sha256": "f0456a25e0e7b3c5f8f4d59bbb3e48be6247a7a297fee9107530aa68e41b9b88", "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"M3L\": 1}", "formulae": "[\"C9 H21 N2 O2\"]", "geometry_note": "Chemical identity of one peptide-linking residue; not the entire peptide. Ideal CCD geometry is not a bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "MXNRLFUSFKVQSK-QMMMGPOBSA-O", "inventory_origin": "v1_1_supplemental_polymer_monomer", "isomeric_smiles": "C[N+](C)(C)CCCC[C@@H](C(=O)O)N", "primary_name": "N-TRIMETHYLLYSINE", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"M3L\": \"C[N+](C)(C)CCCC[C@@H](C(=O)O)N\"}", "source_metadata_sha256": "{}", "source_urls": [ "https://www.rcsb.org/ligand/M3L" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "N-TRIMETHYLLYSINE", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 10, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:P55201", "UP:Q7Z4V5", "UP:Q8R5C8", "UP:Q9UBC3", "UP:Q9Y3E1" ], "relationships": [], "relevant": false, "search_text": "n-trimethyllysine inchikey:mxnrlfusfkvqsk-qmmmgpobsa-o n-trimethyllysine brpf1 dnmt3b hdgfl2 hdgfl3 zmynd11 up:p55201:pwwp1 up:q7z4v5:pwwp1 up:q8r5c8:pwwp1 up:q9ubc3:pwwp1 up:q9y3e1:pwwp1 2x4w 2x4x 2x4y 3mo8 3qby 3qj6 4n4h 4n4i 5ciu 6iis {\"aliases\":[\"n-trimethyllysine\"],\"ccd_ids\":[\"m3l\"],\"ccd_names\":\"[\\\"n-trimethyllysine\\\"]\",\"ccd_types\":\"[\\\"l-peptide linking\\\"]\",\"chemical_id\":\"inchikey:mxnrlfusfkvqsk-qmmmgpobsa-o\",\"connectivity_block\":\"mxnrlfusfkvqsk\",\"curated_source_sha256\":\"f0456a25e0e7b3c5f8f4d59bbb3e48be6247a7a297fee9107530aa68e41b9b88\",\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"m3l\\\": 1}\",\"formulae\":\"[\\\"c9 h21 n2 o2\\\"]\",\"geometry_note\":\"chemical identity of one peptide-linking residue; not the entire peptide. ideal ccd geometry is not a bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"mxnrlfusfkvqsk-qmmmgpobsa-o\",\"inventory_origin\":\"v1_1_supplemental_polymer_monomer\",\"isomeric_smiles\":\"c[n+](c)(c)cccc[c@@h](c(=o)o)n\",\"primary_name\":\"n-trimethyllysine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"m3l\\\": \\\"c[n+](c)(c)cccc[c@@h](c(=o)o)n\\\"}\",\"source_metadata_sha256\":\"{}\",\"source_urls\":[\"https://www.rcsb.org/ligand/m3l\"]}", "source_urls": [ "https://www.rcsb.org/ligand/M3L" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6336, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.642, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7483, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5846, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.489, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3655, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8067, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8857, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6336, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.642, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7483, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5846, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.489, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3655, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8067, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8857, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4W:CHAIN:A:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6336, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.642, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7483, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5846, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.489, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3655, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8067, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8857, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4W:CONN:covale1\", \"PDB:2X4W:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4W:CONN:covale1\", \"PDB:2X4W:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4W:LIG:B:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3275, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4W", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6336, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.642, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7483, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5846, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.489, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3655, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8067, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8857, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.426, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3275, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5577, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4W/original.cif", "source_coordinate_sha256": "abae03e17ec0f4543683c8be73cb4157fc69c0b3ab21a2d1f83fabbe6fec1783", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4W:LIG:B:M3L:36:15", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.8067, "minimum_chain_distance_angstrom": 2.8067, "minimum_core_distance_angstrom": 2.8067, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4W", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4W:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "abae03e17ec0f4543683c8be73cb4157fc69c0b3ab21a2d1f83fabbe6fec1783" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7036, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4707, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7762, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4403, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8831, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6991, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7036, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4707, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7762, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4403, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8831, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6991, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4X:CHAIN:A:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7036, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4707, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7762, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4403, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8831, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6991, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale1\", \"PDB:2X4X:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale1\", \"PDB:2X4X:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4X:LIG:B:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3304, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4X", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7008, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7036, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4707, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7762, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4403, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8831, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6991, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5429, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3316, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3304, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7654, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4X/original.cif", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4X:LIG:B:M3L:36:15", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.8831, "minimum_chain_distance_angstrom": 2.8831, "minimum_core_distance_angstrom": 2.8831, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4X", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7572, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6474, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6899, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.54, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2449, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9242, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6483, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7572, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6474, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6899, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.54, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2449, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9242, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6483, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4X:CHAIN:C:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7572, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6474, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6899, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.54, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2449, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9242, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6483, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale3\", \"PDB:2X4X:CONN:covale4\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"D\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale3\", \"PDB:2X4X:CONN:covale4\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4X:LIG:D:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3266, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4X", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7572, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6474, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6899, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.54, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.2449, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9242, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6483, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3905, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3304, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5991, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4X/original.cif", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4X:LIG:D:M3L:36:15", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.9242, "minimum_chain_distance_angstrom": 2.9242, "minimum_core_distance_angstrom": 2.9242, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4X", "protein_id": "UP:P55201", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6605, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8026, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7526, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4201, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3687, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.917, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0597, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4736, \"uniprot_position\": 1184}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6605, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8026, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7526, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4201, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3687, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.917, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0597, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4736, \"uniprot_position\": 1184}]", "chain_id": "PDB:2X4X:CHAIN:E:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6605, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8026, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7526, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4201, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3687, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.917, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0597, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale5\", \"PDB:2X4X:CONN:covale6\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"F\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale5\", \"PDB:2X4X:CONN:covale6\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4X:LIG:F:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3265, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4X", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6605, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8026, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7526, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4201, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3687, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.917, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0597, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4736, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5671, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3265, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4944, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4X/original.cif", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4X:LIG:F:M3L:36:15", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.917, "minimum_chain_distance_angstrom": 2.917, "minimum_core_distance_angstrom": 2.917, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4X", "protein_id": "UP:P55201", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7592, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.595, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7706, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7478, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5975, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3588, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.367, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7592, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.595, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7706, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7478, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5975, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3588, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.367, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4X:CHAIN:G:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7592, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.595, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7706, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7478, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5975, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3588, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.367, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale7\", \"PDB:2X4X:CONN:covale8\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"H\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4X:CONN:covale7\", \"PDB:2X4X:CONN:covale8\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4X:LIG:H:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3249, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4X", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7592, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.595, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7706, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7478, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5975, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3588, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4633, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 1.3289, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 1.3249, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8244, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4X/original.cif", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4X:LIG:H:M3L:36:15", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.9307, "minimum_chain_distance_angstrom": 2.9307, "minimum_core_distance_angstrom": 2.9307, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4X", "protein_id": "UP:P55201", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "source_coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2337, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.461, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.891, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7063, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5064, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4202, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7421, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1692, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2337, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.461, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.891, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7063, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5064, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4202, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7421, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1692, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:A:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2337, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.461, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.891, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7063, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5064, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4202, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7421, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1692, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale1\", \"PDB:2X4Y:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale1\", \"PDB:2X4Y:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:B:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3259, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2337, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.461, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.891, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7063, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5064, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4202, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7421, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1692, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.514, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3259, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3354, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1371, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:B:M3L:36:15", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.7421, "minimum_chain_distance_angstrom": 2.7421, "minimum_core_distance_angstrom": 2.7421, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4232, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6615, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6588, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7743, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4691, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.615, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9211, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4232, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6615, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6588, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7743, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4691, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.615, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9211, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:C:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4232, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6615, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6588, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7743, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4691, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.615, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9211, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale3\", \"PDB:2X4Y:CONN:covale4\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"D\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale3\", \"PDB:2X4Y:CONN:covale4\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:D:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3274, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4232, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6615, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6588, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7743, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4691, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.615, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9211, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5126, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3333, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0022, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:D:M3L:36:15", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.9211, "minimum_chain_distance_angstrom": 2.9211, "minimum_core_distance_angstrom": 2.9211, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.448, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.705, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6943, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6026, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7209, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4207, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8563, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.448, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.705, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6943, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6026, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7209, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4207, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8563, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:E:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.448, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.705, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6943, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6026, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7209, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4207, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8563, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale5\", \"PDB:2X4Y:CONN:covale6\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"F\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale5\", \"PDB:2X4Y:CONN:covale6\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:F:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3237, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.448, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.705, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6943, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6026, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.7209, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4207, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8563, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5141, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4879, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3237, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.675, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:F:M3L:36:15", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.8563, "minimum_chain_distance_angstrom": 2.8563, "minimum_core_distance_angstrom": 2.8563, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.217, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8509, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7377, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5958, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3527, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4413, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8674, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1706, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.217, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8509, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7377, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5958, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3527, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4413, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8674, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1706, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:G:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.217, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8509, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7377, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5958, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3527, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4413, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8674, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1706, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale7\", \"PDB:2X4Y:CONN:covale8\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"H\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale7\", \"PDB:2X4Y:CONN:covale8\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:H:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3266, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.217, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8509, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7377, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5958, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.3527, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4413, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8674, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1706, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 1.3267, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 1.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.7959, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:H:M3L:36:15", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.8674, "minimum_chain_distance_angstrom": 2.8674, "minimum_core_distance_angstrom": 2.8674, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4738, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3622, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.7505, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6887, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6757, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3033, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.7424, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.1708, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8455, \"uniprot_position\": 1184}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4738, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3622, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.7505, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6887, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6757, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3033, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.7424, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.1708, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8455, \"uniprot_position\": 1184}]", "chain_id": "PDB:2X4Y:CHAIN:I:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4738, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3622, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.7505, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6887, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6757, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3033, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.7424, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.1708, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale9\", \"PDB:2X4Y:CONN:covale10\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"J\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"J\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale9\", \"PDB:2X4Y:CONN:covale10\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:J:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3261, "nearest_polypeptide_label_asym_id": "J", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4738, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3622, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.7505, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6887, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.6757, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.3033, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.7424, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.1708, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 111, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8455, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 3.4005, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 1.3364, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 1.3261, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.2567, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:J:M3L:36:15", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.7424, "minimum_chain_distance_angstrom": 2.7424, "minimum_core_distance_angstrom": 2.7424, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:J:M3L:36:15:SITE:UP:P55201:PWWP1:I", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0822, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6183, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6126, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6449, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3771, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5822, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8287, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.888, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0822, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6183, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6126, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6449, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3771, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5822, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8287, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.888, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:K:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0822, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6183, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6126, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6449, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3771, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5822, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8287, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.888, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale11\", \"PDB:2X4Y:CONN:covale12\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"L\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale11\", \"PDB:2X4Y:CONN:covale12\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:L:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3218, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0822, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6183, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6126, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6449, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3771, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5822, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8287, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.888, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4816, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 1.3218, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 1.3387, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5521, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:L:M3L:36:15", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 2.8287, "minimum_chain_distance_angstrom": 2.8287, "minimum_core_distance_angstrom": 2.8287, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:L:M3L:36:15:SITE:UP:P55201:PWWP1:K", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3152, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7014, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.5673, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.6665, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.4619, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.8368, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7898, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3152, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7014, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.5673, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.6665, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.4619, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.8368, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7898, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:M:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3152, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7014, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.5673, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.6665, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.4619, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.8368, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7898, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale13\", \"PDB:2X4Y:CONN:covale14\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"N\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale13\", \"PDB:2X4Y:CONN:covale14\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:N:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3246, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3152, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7014, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.5673, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.6665, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.4619, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.8368, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.7898, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.4972, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 1.34, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 1.3246, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.5852, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:N:M3L:36:15", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 2.8368, "minimum_chain_distance_angstrom": 2.8368, "minimum_core_distance_angstrom": 2.8368, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:N:M3L:36:15:SITE:UP:P55201:PWWP1:M", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7498, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1094\", \"component\": \"ARG\", \"entity_position\": 21, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.0124, \"uniprot_position\": 1094}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.7047, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9566, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6716, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6308, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6997, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.4173, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.7572, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.5647, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7498, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1094\", \"component\": \"ARG\", \"entity_position\": 21, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.0124, \"uniprot_position\": 1094}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.7047, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9566, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6716, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6308, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6997, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.4173, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.7572, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.5647, \"uniprot_position\": 1155}]", "chain_id": "PDB:2X4Y:CHAIN:O:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7498, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1094\", \"component\": \"ARG\", \"entity_position\": 21, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.0124, \"uniprot_position\": 1094}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.7047, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9566, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6716, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6308, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6997, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.4173, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.7572, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.5647, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale15\", \"PDB:2X4Y:CONN:covale16\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"P\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"PEREGRIN\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 132, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"HISTONE H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"P\", \"sequence_length\": 21, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:2X4Y:CONN:covale15\", \"PDB:2X4Y:CONN:covale16\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": "15", "ligand_instance_id": "PDB:2X4Y:LIG:P:M3L:36:15", "nearest_polypeptide_distance_angstrom": 1.3328, "nearest_polypeptide_label_asym_id": "P", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "2X4Y", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 20, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7498, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1094\", \"component\": \"ARG\", \"entity_position\": 21, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.0124, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.7047, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9566, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 26, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6716, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 74, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6308, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 76, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.6997, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 80, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.4173, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 81, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.7572, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 82, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 3.5647, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 13, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 3.8038, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 1.3331, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 16, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 1.3328, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/2X4Y/original.cif", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:2X4Y:LIG:P:M3L:36:15", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 2.7572, "minimum_chain_distance_angstrom": 2.7572, "minimum_core_distance_angstrom": 2.7572, "multiple_contacting_mapped_chains": 0, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:2X4Y:LIG:P:M3L:36:15:SITE:UP:P55201:PWWP1:O", "source_coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.599, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.766, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4763, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5524, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8003, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8714, \"uniprot_position\": 1155}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.599, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.766, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4763, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5524, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8003, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8714, \"uniprot_position\": 1155}]", "chain_id": "PDB:3MO8:CHAIN:A:UP:P55201", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.599, \"uniprot_position\": 1093}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.766, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4763, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5524, \"uniprot_position\": 1153}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8003, \"uniprot_position\": 1154}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8714, \"uniprot_position\": 1155}]", "covalent_connection_ids": "[\"PDB:3MO8:CONN:covale1\", \"PDB:3MO8:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "7", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}, {\"description\": \"Histone H3.2 TRIMETHYLATED H3K36 PEPTIDE\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 12, \"uniprot_ids\": [\"Q16695\"]}]", "covalent_connection_ids": "[\"PDB:3MO8:CONN:covale1\", \"PDB:3MO8:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "7", "ligand_instance_id": "PDB:3MO8:LIG:B:M3L:7:7", "nearest_polypeptide_distance_angstrom": 1.3317, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3MO8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1093\", \"component\": \"CYS\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.599, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7092, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.766, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6595, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4763, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5524, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8003, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1155\", \"component\": \"GLN\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8714, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"5\", \"component\": \"GLY\", \"entity_position\": 5, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4747, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"6\", \"component\": \"VAL\", \"entity_position\": 6, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3407, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"8\", \"component\": \"LYS\", \"entity_position\": 8, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3317, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"9\", \"component\": \"PRO\", \"entity_position\": 9, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4826, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"11\", \"component\": \"ARG\", \"entity_position\": 11, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9638, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"12\", \"component\": \"TYR\", \"entity_position\": 12, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6648, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Complexes/3MO8/original.cif", "source_coordinate_sha256": "0c113749d3cb37678cc51da222d840d091b0e971f92cfb843aa3165a8a99bba5", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3MO8:LIG:B:M3L:7:7", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.8003, "minimum_chain_distance_angstrom": 2.8003, "minimum_core_distance_angstrom": 2.8003, "multiple_contacting_mapped_chains": 0, "pdb_id": "3MO8", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "0c113749d3cb37678cc51da222d840d091b0e971f92cfb843aa3165a8a99bba5" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0128, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.701, \"uniprot_position\": 31}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0128, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.701, \"uniprot_position\": 31}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0128, \"uniprot_position\": 30}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.701, \"uniprot_position\": 31}]", "covalent_connection_ids": "[\"PDB:3QBY:CONN:covale1\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "20", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"H4K20me3 Histone H4 Peptide\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"D\", \"sequence_length\": 11, \"uniprot_ids\": [\"P62805\"]}]", "covalent_connection_ids": "[\"PDB:3QBY:CONN:covale1\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": "6", "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "nearest_polypeptide_distance_angstrom": 1.3295, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0128, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.701, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4117, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4112, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5377, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8489, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5698, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6777, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8172, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0364, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"18\", \"component\": \"HIS\", \"entity_position\": 4, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7614, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"19\", \"component\": \"ARG\", \"entity_position\": 5, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3295, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 3.701, "minimum_chain_distance_angstrom": 3.701, "minimum_core_distance_angstrom": 3.701, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4117, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4112, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5377, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8489, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5698, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6777, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8172, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0364, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4117, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4112, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5377, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8489, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5698, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6777, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8172, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0364, \"uniprot_position\": 51}]", "chain_id": "PDB:3QBY:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4117, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4112, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5377, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8489, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5698, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6777, \"uniprot_position\": 49}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8172, \"uniprot_position\": 50}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0364, \"uniprot_position\": 51}]", "covalent_connection_ids": "[\"PDB:3QBY:CONN:covale1\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "20", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"H4K20me3 Histone H4 Peptide\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"D\", \"sequence_length\": 11, \"uniprot_ids\": [\"P62805\"]}]", "covalent_connection_ids": "[\"PDB:3QBY:CONN:covale1\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": "6", "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "nearest_polypeptide_distance_angstrom": 1.3295, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"30\", \"component\": \"ASP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0128, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"31\", \"component\": \"GLY\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.701, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4117, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4112, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5377, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8489, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5698, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6777, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8172, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0364, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"18\", \"component\": \"HIS\", \"entity_position\": 4, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7614, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"19\", \"component\": \"ARG\", \"entity_position\": 5, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3295, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.6777, "minimum_chain_distance_angstrom": 2.6777, "minimum_core_distance_angstrom": 2.6777, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9743, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3406, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0434, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7054, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2709, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3514, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7399, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3703, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9743, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3406, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0434, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7054, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2709, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3514, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7399, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3703, \"uniprot_position\": 51}]", "chain_id": "PDB:3QJ6:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9743, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3406, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0434, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7054, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2709, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3514, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7399, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3703, \"uniprot_position\": 51}]", "covalent_connection_ids": "[\"PDB:3QJ6:CONN:covale1\", \"PDB:3QJ6:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"T\"]", "auth_seq_id": "79", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"H3K79me3\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 12, \"uniprot_ids\": [\"P68431\"]}]", "covalent_connection_ids": "[\"PDB:3QJ6:CONN:covale1\", \"PDB:3QJ6:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "7", "ligand_instance_id": "PDB:3QJ6:LIG:B:M3L:79:7", "nearest_polypeptide_distance_angstrom": 1.3291, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QJ6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9743, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0434, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7054, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2709, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3514, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7399, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3703, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"77\", \"component\": \"ASP\", \"entity_position\": 5, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5413, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"78\", \"component\": \"PHE\", \"entity_position\": 6, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3291, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"80\", \"component\": \"THR\", \"entity_position\": 8, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3433, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QJ6/original.cif", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3QJ6:LIG:B:M3L:79:7", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.7399, "minimum_chain_distance_angstrom": 2.7399, "minimum_core_distance_angstrom": 2.7399, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]", "chain_id": "PDB:4N4H:CHAIN:A:UP:Q8R5C8", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]", "covalent_connection_ids": "[\"PDB:4N4H:CONN:covale1\", \"PDB:4N4H:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "gene": "Zmynd11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}, {\"description\": \"Peptide from Histone H3.1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 22, \"uniprot_ids\": [\"P68431\"]}]", "covalent_connection_ids": "[\"PDB:4N4H:CONN:covale1\", \"PDB:4N4H:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "16", "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16", "nearest_polypeptide_distance_angstrom": 1.3282, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4N4H", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3703, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3286, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3282, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 18, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5276, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4H/original.cif", "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.6172, "minimum_chain_distance_angstrom": 2.6172, "minimum_core_distance_angstrom": 2.6172, "multiple_contacting_mapped_chains": 0, "pdb_id": "4N4H", "protein_id": "UP:Q8R5C8", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A", "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]", "chain_id": "PDB:4N4I:CHAIN:A:UP:Q8R5C8", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]", "covalent_connection_ids": "[\"PDB:4N4I:CONN:covale1\", \"PDB:4N4I:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "gene": "Zmynd11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}, {\"description\": \"Peptide from Histone H3.3\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 24, \"uniprot_ids\": [\"P84243\"]}]", "covalent_connection_ids": "[\"PDB:4N4I:CONN:covale1\", \"PDB:4N4I:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": "18", "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18", "nearest_polypeptide_distance_angstrom": 1.3258, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4N4I", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5047, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3299, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6352, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4I/original.cif", "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.6782, "minimum_chain_distance_angstrom": 2.6782, "minimum_core_distance_angstrom": 2.6782, "multiple_contacting_mapped_chains": 0, "pdb_id": "4N4I", "protein_id": "UP:Q8R5C8", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A", "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7563, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8288, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5209, \"uniprot_position\": 239}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3373, \"uniprot_position\": 263}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8345, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6952, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8941, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4444, \"uniprot_position\": 270}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7563, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8288, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5209, \"uniprot_position\": 239}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3373, \"uniprot_position\": 263}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8345, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6952, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8941, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4444, \"uniprot_position\": 270}]", "chain_id": "PDB:5CIU:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7563, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8288, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5209, \"uniprot_position\": 239}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3373, \"uniprot_position\": 263}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8345, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6952, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8941, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4444, \"uniprot_position\": 270}]", "covalent_connection_ids": "[\"PDB:5CIU:CONN:covale1\", \"PDB:5CIU:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"Histone H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"C\", \"sequence_length\": 15, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:5CIU:CONN:covale1\", \"PDB:5CIU:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": "9", "ligand_instance_id": "PDB:5CIU:LIG:C:M3L:36:9", "nearest_polypeptide_distance_angstrom": 1.3291, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 0.8, "occupancy_min": 0.8, "pdb_id": "5CIU", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7563, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8288, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5209, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3373, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8345, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6952, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8941, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4444, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 7, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1691, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 8, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 1.3291, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 1.3306, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 11, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2779, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/5CIU/original.cif", "source_coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:5CIU:LIG:C:M3L:36:9", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.8941, "minimum_chain_distance_angstrom": 2.8941, "minimum_core_distance_angstrom": 2.8941, "multiple_contacting_mapped_chains": 0, "pdb_id": "5CIU", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1326, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6002, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.631, \"uniprot_position\": 239}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.426, \"uniprot_position\": 263}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4026, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.83, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9927, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5097, \"uniprot_position\": 270}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1326, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6002, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.631, \"uniprot_position\": 239}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.426, \"uniprot_position\": 263}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4026, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.83, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9927, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5097, \"uniprot_position\": 270}]", "chain_id": "PDB:5CIU:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1326, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6002, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.631, \"uniprot_position\": 239}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.426, \"uniprot_position\": 263}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4026, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.83, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9927, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5097, \"uniprot_position\": 270}]", "covalent_connection_ids": "[\"PDB:5CIU:CONN:covale3\", \"PDB:5CIU:CONN:covale4\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 150, \"uniprot_ids\": [\"Q9UBC3\"]}, {\"description\": \"Histone H3.2\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"D\", \"sequence_length\": 15, \"uniprot_ids\": [\"Q71DI3\"]}]", "covalent_connection_ids": "[\"PDB:5CIU:CONN:covale3\", \"PDB:5CIU:CONN:covale4\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": "9", "ligand_instance_id": "PDB:5CIU:LIG:D:M3L:36:9", "nearest_polypeptide_distance_angstrom": 1.3261, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 0.8, "occupancy_min": 0.8, "pdb_id": "5CIU", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"ILE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1326, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"PHE\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6002, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"239\", \"component\": \"TRP\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.631, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"263\", \"component\": \"TRP\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.426, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"ASP\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4026, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"LYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.83, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"PHE\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9927, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"SER\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5097, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 7, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8494, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 8, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3355, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.3261, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 11, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2225, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/5CIU/original.cif", "source_coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:5CIU:LIG:D:M3L:36:9", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.9927, "minimum_chain_distance_angstrom": 2.9927, "minimum_core_distance_angstrom": 2.9927, "multiple_contacting_mapped_chains": 0, "pdb_id": "5CIU", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4103, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": 22}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3697, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6081, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6479, \"uniprot_position\": 51}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1392, \"uniprot_position\": 53}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6827, \"uniprot_position\": 54}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4595, \"uniprot_position\": 55}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4103, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": 22}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3697, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6081, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6479, \"uniprot_position\": 51}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1392, \"uniprot_position\": 53}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6827, \"uniprot_position\": 54}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4595, \"uniprot_position\": 55}]", "chain_id": "PDB:6IIS:CHAIN:A:UP:Q9Y3E1", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4103, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": 22}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3697, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6081, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6479, \"uniprot_position\": 51}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1392, \"uniprot_position\": 53}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6827, \"uniprot_position\": 54}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4595, \"uniprot_position\": 55}]", "covalent_connection_ids": "[\"PDB:6IIS:CONN:covale1\", \"PDB:6IIS:CONN:covale2\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y3E1:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 100, \"uniprot_ids\": [\"Q9Y3E1\"]}, {\"description\": \"H3K36me3 peptide\", \"entity_id\": \"3\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"E\", \"sequence_length\": 8, \"uniprot_ids\": [\"P68431\"]}]", "covalent_connection_ids": "[\"PDB:6IIS:CONN:covale1\", \"PDB:6IIS:CONN:covale2\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": "4", "ligand_instance_id": "PDB:6IIS:LIG:E:M3L:36:4", "nearest_polypeptide_distance_angstrom": 1.327, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6IIS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4103, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3697, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6081, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6479, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1392, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6827, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4595, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 2, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4072, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 3, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 1.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 5, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 1.3294, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL3__HUMAN__Q9Y3E1/Complexes/6IIS/original.cif", "source_coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:6IIS:LIG:E:M3L:36:4", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.6827, "minimum_chain_distance_angstrom": 2.6827, "minimum_core_distance_angstrom": 2.6827, "multiple_contacting_mapped_chains": 0, "pdb_id": "6IIS", "protein_id": "UP:Q9Y3E1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:6IIS:LIG:E:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:A", "source_coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1018, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": 22}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6311, \"uniprot_position\": 25}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7323, \"uniprot_position\": 48}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 51}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1451, \"uniprot_position\": 53}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0698, \"uniprot_position\": 54}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4972, \"uniprot_position\": 55}]", "biochemical_activity_inferred": 0, "ccd_id": "M3L", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1018, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": 22}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6311, \"uniprot_position\": 25}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7323, \"uniprot_position\": 48}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 51}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1451, \"uniprot_position\": 53}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0698, \"uniprot_position\": 54}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4972, \"uniprot_position\": 55}]", "chain_id": "PDB:6IIS:CHAIN:B:UP:Q9Y3E1", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1018, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": 22}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6311, \"uniprot_position\": 25}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7323, \"uniprot_position\": 48}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": 51}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1451, \"uniprot_position\": 53}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0698, \"uniprot_position\": 54}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4972, \"uniprot_position\": 55}]", "covalent_connection_ids": "[\"PDB:6IIS:CONN:covale3\", \"PDB:6IIS:CONN:covale4\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y3E1:PWWP1", "exact_pwwp_contact": true, "gene": "HDGFL3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "36", "ccd_id": "M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "component_context": "polymer_modified_monomer", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 100, \"uniprot_ids\": [\"Q9Y3E1\"]}, {\"description\": \"H3K36me3 peptide\", \"entity_id\": \"3\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"F\", \"sequence_length\": 8, \"uniprot_ids\": [\"P68431\"]}]", "covalent_connection_ids": "[\"PDB:6IIS:CONN:covale3\", \"PDB:6IIS:CONN:covale4\"]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": "4", "ligand_instance_id": "PDB:6IIS:LIG:F:M3L:36:4", "nearest_polypeptide_distance_angstrom": 1.3332, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6IIS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"MET\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1018, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"22\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6311, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"PHE\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7323, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"51\", \"component\": \"THR\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.619, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"53\", \"component\": \"GLU\", \"entity_position\": 54, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1451, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"54\", \"component\": \"THR\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0698, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"55\", \"component\": \"ALA\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4972, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 2, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2516, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 3, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3332, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 5, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 1.3354, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL3__HUMAN__Q9Y3E1/Complexes/6IIS/original.cif", "source_coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:6IIS:LIG:F:M3L:36:4", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 3.0698, "minimum_chain_distance_angstrom": 3.0698, "minimum_core_distance_angstrom": 3.0698, "multiple_contacting_mapped_chains": 0, "pdb_id": "6IIS", "protein_id": "UP:Q9Y3E1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": null, "role_category": null, "site_id": "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B", "source_coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 10, "context_pdb_count": 10, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 23, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "N-TRIMETHYLLYSINE", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A", "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "PDB:2X4W:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:6IIS:LIG:E:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:A", "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A", "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A", "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A", "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B", "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B", "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "PDB:2X4Y:LIG:J:M3L:36:15:SITE:UP:P55201:PWWP1:I", "PDB:2X4Y:LIG:L:M3L:36:15:SITE:UP:P55201:PWWP1:K", "PDB:2X4Y:LIG:N:M3L:36:15:SITE:UP:P55201:PWWP1:M", "PDB:2X4Y:LIG:P:M3L:36:15:SITE:UP:P55201:PWWP1:O" ], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 23, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:2X4W:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "abae03e17ec0f4543683c8be73cb4157fc69c0b3ab21a2d1f83fabbe6fec1783", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4W:LIG:B:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4W", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4W:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4W", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4X:LIG:B:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4X", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4X", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4X:LIG:D:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4X", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4X", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4X:LIG:F:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4X", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4X", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f013aab80fdce256f5d371e91a4d19e4d9917989b33e83195440290a400e7097", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4X:LIG:H:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4X", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4X", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:B:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:D:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:F:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:H:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:J:M3L:36:15:SITE:UP:P55201:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:J:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:J:M3L:36:15:SITE:UP:P55201:PWWP1:I", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:L:M3L:36:15:SITE:UP:P55201:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:L:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:L:M3L:36:15:SITE:UP:P55201:PWWP1:K", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:N:M3L:36:15:SITE:UP:P55201:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:N:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:N:M3L:36:15:SITE:UP:P55201:PWWP1:M", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:2X4Y:LIG:P:M3L:36:15:SITE:UP:P55201:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:P:M3L:36:15", "observed_other_component": false, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:P:M3L:36:15:SITE:UP:P55201:PWWP1:O", "source_role": null, "source_url": "https://www.rcsb.org/structure/2X4Y", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "0c113749d3cb37678cc51da222d840d091b0e971f92cfb843aa3165a8a99bba5", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3MO8:LIG:B:M3L:7:7", "observed_other_component": false, "pdb_id": "3MO8", "protein_id": "UP:P55201", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/3MO8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:D:M3L:20:6", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": null, "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QJ6:LIG:B:M3L:79:7", "observed_other_component": false, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/3QJ6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae", "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16", "observed_other_component": false, "pdb_id": "4N4H", "protein_id": "UP:Q8R5C8", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/4N4H", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c", "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18", "observed_other_component": false, "pdb_id": "4N4I", "protein_id": "UP:Q8R5C8", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/4N4I", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5CIU:LIG:C:M3L:36:9", "observed_other_component": false, "pdb_id": "5CIU", "protein_id": "UP:Q9UBC3", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B", "source_role": null, "source_url": "https://www.rcsb.org/structure/5CIU", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5CIU:LIG:D:M3L:36:9", "observed_other_component": false, "pdb_id": "5CIU", "protein_id": "UP:Q9UBC3", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/5CIU", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6IIS:LIG:E:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749", "domain_id": "UP:Q9Y3E1:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6IIS:LIG:E:M3L:36:4", "observed_other_component": false, "pdb_id": "6IIS", "protein_id": "UP:Q9Y3E1", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6IIS:LIG:E:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:A", "source_role": null, "source_url": "https://www.rcsb.org/structure/6IIS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/M3L", "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "87a30acd3052d34ac9ebd481ad1e90164d57cd7273824da890709d3d9cdb2749", "domain_id": "UP:Q9Y3E1:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:6IIS:LIG:F:M3L:36:4", "observed_other_component": false, "pdb_id": "6IIS", "protein_id": "UP:Q9Y3E1", "role_code": "unclassified_biological_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B", "source_role": null, "source_url": "https://www.rcsb.org/structure/6IIS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "UNKNOWN ATOM OR ION" ], "assay_count": 0, "associated_pdb_ids": [ "1KHC", "3L42", "3QBY", "3QJ6", "4FU6", "4LD6", "4RXJ", "4Z02", "5C6S", "5VC8", "6OQM", "6UE6", "6XCG", "7LMT", "7MDN" ], "bound_structure_count": 0, "category": "Deposited component / association", "chemical_id": "CCD_UNRESOLVED:UNX", "classifications": [ "Preparation identity unresolved" ], "compound_id": "CCD_UNRESOLVED:UNX", "curation_version": "phase5-1.0.0", "depiction": null, "development_status": "Not independently curated", "domain_ids": [], "entity_kind": "chemical_identity", "genes": [], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "UNKNOWN ATOM OR ION" ], "ccd_ids": [ "UNX" ], "ccd_names": "[\"UNKNOWN ATOM OR ION\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "CCD_UNRESOLVED:UNX", "connectivity_block": null, "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"UNX\": 0}", "formulae": "[\"X\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "unresolved_CCD_placeholder", "inchikey": null, "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "*", "primary_name": "UNKNOWN ATOM OR ION", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"UNX\": \"*\"}", "source_metadata_sha256": "{\"UNX\": \"c70ada997bd2e75ad039b8b7326c69460fd830c63d4d40c47914556d8278234a\"}", "source_urls": [ "https://www.rcsb.org/ligand/UNX" ] }, "identity_note": "unresolved_CCD_placeholder", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "UNKNOWN ATOM OR ION", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 15, "preparation_count": 0, "preparation_ids": [], "protein_ids": [], "relationships": [], "relevant": false, "search_text": "unknown atom or ion ccd_unresolved:unx unknown atom or ion 1khc 3l42 3qby 3qj6 4fu6 4ld6 4rxj 4z02 5c6s 5vc8 6oqm 6ue6 6xcg 7lmt 7mdn {\"aliases\":[\"unknown atom or ion\"],\"ccd_ids\":[\"unx\"],\"ccd_names\":\"[\\\"unknown atom or ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"ccd_unresolved:unx\",\"connectivity_block\":null,\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"unx\\\": 0}\",\"formulae\":\"[\\\"x\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"unresolved_ccd_placeholder\",\"inchikey\":null,\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"*\",\"primary_name\":\"unknown atom or ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"unx\\\": \\\"*\\\"}\",\"source_metadata_sha256\":\"{\\\"unx\\\": \\\"c70ada997bd2e75ad039b8b7326c69460fd830c63d4d40c47914556d8278234a\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/unx\"]}", "source_urls": [ "https://www.rcsb.org/ligand/UNX" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3379, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2675, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0555, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5546, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9833, \"uniprot_position\": 311}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3379, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2675, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0555, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5546, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9833, \"uniprot_position\": 311}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3379, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2675, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0555, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5546, \"uniprot_position\": 274}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale1\", \"PDB:1KHC:CONN:covale2\", \"PDB:1KHC:CONN:covale3\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "163", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale1\", \"PDB:1KHC:CONN:covale2\", \"PDB:1KHC:CONN:covale3\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:B:UNX:163:.", "nearest_polypeptide_distance_angstrom": 4.0555, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.5, "occupancy_min": 0.5, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3379, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2675, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0555, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5546, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9833, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:B:UNX:163:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 4.0555, "minimum_chain_distance_angstrom": 4.0555, "minimum_core_distance_angstrom": 4.0555, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:B:UNX:163:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3893, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6263, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9425, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.851, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": 311}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3893, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6263, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9425, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.851, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": 311}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3893, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6263, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9425, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.851, \"uniprot_position\": 274}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale1\", \"PDB:1KHC:CONN:covale4\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "164", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale1\", \"PDB:1KHC:CONN:covale4\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:C:UNX:164:.", "nearest_polypeptide_distance_angstrom": 2.9425, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.5, "occupancy_min": 0.5, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3893, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6263, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9425, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.851, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8259, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:C:UNX:164:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.9425, "minimum_chain_distance_angstrom": 2.9425, "minimum_core_distance_angstrom": 2.9425, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:C:UNX:164:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6068, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2184, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2735, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ASP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.81, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6516, \"uniprot_position\": 274}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6068, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2184, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2735, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ASP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.81, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6516, \"uniprot_position\": 274}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6068, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2184, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2735, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ASP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.81, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6516, \"uniprot_position\": 274}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale2\", \"PDB:1KHC:CONN:covale4\", \"PDB:1KHC:CONN:covale5\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "165", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale2\", \"PDB:1KHC:CONN:covale4\", \"PDB:1KHC:CONN:covale5\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:D:UNX:165:.", "nearest_polypeptide_distance_angstrom": 3.6516, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.5, "occupancy_min": 0.5, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6068, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2184, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2735, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ASP\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.81, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6516, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:D:UNX:165:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 3.6516, "minimum_chain_distance_angstrom": 3.6516, "minimum_core_distance_angstrom": 3.6516, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:D:UNX:165:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6462, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0638, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7914, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3971, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6487, \"uniprot_position\": 274}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6462, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0638, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7914, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3971, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6487, \"uniprot_position\": 274}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6462, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0638, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7914, \"uniprot_position\": 271}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3971, \"uniprot_position\": 272}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6487, \"uniprot_position\": 274}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale3\", \"PDB:1KHC:CONN:covale5\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "166", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale3\", \"PDB:1KHC:CONN:covale5\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:E:UNX:166:.", "nearest_polypeptide_distance_angstrom": 3.0638, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"GLN\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6462, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"TRP\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0638, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PHE\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7914, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3971, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"GLY\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6487, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:E:UNX:166:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 3.0638, "minimum_chain_distance_angstrom": 3.0638, "minimum_core_distance_angstrom": 3.0638, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:E:UNX:166:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"322\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3885, \"uniprot_position\": 322}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"341\", \"component\": \"GLU\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.878, \"uniprot_position\": 341}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"342\", \"component\": \"TRP\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8004, \"uniprot_position\": 342}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"348\", \"component\": \"LYS\", \"entity_position\": 130, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2359, \"uniprot_position\": 348}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale6\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "167", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale6\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:F:UNX:167:.", "nearest_polypeptide_distance_angstrom": 3.8004, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"322\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3885, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"341\", \"component\": \"GLU\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.878, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"342\", \"component\": \"TRP\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8004, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"348\", \"component\": \"LYS\", \"entity_position\": 130, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2359, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:F:UNX:167:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 10.3723, "minimum_chain_distance_angstrom": 3.8004, "minimum_core_distance_angstrom": 11.5329, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:F:UNX:167:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"338\", \"component\": \"PRO\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7399, \"uniprot_position\": 338}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"341\", \"component\": \"GLU\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9739, \"uniprot_position\": 341}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"342\", \"component\": \"TRP\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6927, \"uniprot_position\": 342}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale6\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "168", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale6\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:G:UNX:168:.", "nearest_polypeptide_distance_angstrom": 3.6927, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"338\", \"component\": \"PRO\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7399, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"341\", \"component\": \"GLU\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9739, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"342\", \"component\": \"TRP\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6927, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:G:UNX:168:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 10.5746, "minimum_chain_distance_angstrom": 3.6927, "minimum_core_distance_angstrom": 11.2085, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:G:UNX:168:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7755, \"uniprot_position\": 297}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7755, \"uniprot_position\": 297}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale7\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "169", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale7\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:H:UNX:169:.", "nearest_polypeptide_distance_angstrom": 3.7755, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7755, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:H:UNX:169:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.7755, "minimum_chain_distance_angstrom": 3.7755, "minimum_core_distance_angstrom": 13.0826, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:H:UNX:169:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8144, \"uniprot_position\": 297}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8144, \"uniprot_position\": 297}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale7\", \"PDB:1KHC:CONN:covale8\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "170", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale7\", \"PDB:1KHC:CONN:covale8\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:I:UNX:170:.", "nearest_polypeptide_distance_angstrom": 3.8144, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8144, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:I:UNX:170:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.8144, "minimum_chain_distance_angstrom": 3.8144, "minimum_core_distance_angstrom": 12.8267, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.667, \"uniprot_position\": 297}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.667, \"uniprot_position\": 297}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale8\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "171", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale8\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:J:UNX:171:.", "nearest_polypeptide_distance_angstrom": 3.667, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"297\", \"component\": \"ALA\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.667, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:J:UNX:171:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.667, "minimum_chain_distance_angstrom": 3.667, "minimum_core_distance_angstrom": 12.4644, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:J:UNX:171:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7696, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2171, \"uniprot_position\": 315}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7696, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2171, \"uniprot_position\": 315}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1213, \"uniprot_position\": 319}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7696, \"uniprot_position\": 249}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale9\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "172", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale9\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:K:UNX:172:.", "nearest_polypeptide_distance_angstrom": 3.1213, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7696, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2171, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1213, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:K:UNX:172:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.2171, "minimum_chain_distance_angstrom": 3.1213, "minimum_core_distance_angstrom": 3.7696, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:K:UNX:172:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5484, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3944, \"uniprot_position\": 315}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5484, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3944, \"uniprot_position\": 315}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3895, \"uniprot_position\": 319}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5484, \"uniprot_position\": 249}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale9\", \"PDB:1KHC:CONN:covale10\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "173", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale9\", \"PDB:1KHC:CONN:covale10\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:L:UNX:173:.", "nearest_polypeptide_distance_angstrom": 4.3895, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5484, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3944, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3895, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:L:UNX:173:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 4.3944, "minimum_chain_distance_angstrom": 4.3895, "minimum_core_distance_angstrom": 4.5484, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:L:UNX:173:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"GLY\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5876, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9503, \"uniprot_position\": 249}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"ILE\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9471, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"GLY\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5876, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9503, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7338, \"uniprot_position\": 319}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"ILE\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9471, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"GLY\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5876, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9503, \"uniprot_position\": 249}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale10\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "174", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale10\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:M:UNX:174:.", "nearest_polypeptide_distance_angstrom": 3.5876, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"ILE\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9471, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"GLY\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5876, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"MET\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9503, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7338, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:M:UNX:174:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 3.5876, "minimum_chain_distance_angstrom": 3.5876, "minimum_core_distance_angstrom": 3.5876, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:M:UNX:174:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8956, \"uniprot_position\": 311}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9998, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4328, \"uniprot_position\": 315}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8956, \"uniprot_position\": 311}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9998, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4328, \"uniprot_position\": 315}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"VAL\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3182, \"uniprot_position\": 318}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale11\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "175", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale11\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:N:UNX:175:.", "nearest_polypeptide_distance_angstrom": 3.4328, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"HIS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8956, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9998, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4328, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"VAL\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3182, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:N:UNX:175:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 3.4328, "minimum_chain_distance_angstrom": 3.4328, "minimum_core_distance_angstrom": 6.2947, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:N:UNX:175:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.775, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.878, \"uniprot_position\": 315}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.775, \"uniprot_position\": 314}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.878, \"uniprot_position\": 315}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"VAL\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6589, \"uniprot_position\": 318}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale11\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "176", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale11\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:O:UNX:176:.", "nearest_polypeptide_distance_angstrom": 3.6589, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"314\", \"component\": \"GLU\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.775, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.878, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"VAL\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6589, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:O:UNX:176:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.878, "minimum_chain_distance_angstrom": 3.6589, "minimum_core_distance_angstrom": 7.7096, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:O:UNX:176:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7985, \"uniprot_position\": 315}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7985, \"uniprot_position\": 315}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "177", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:P:UNX:177:.", "nearest_polypeptide_distance_angstrom": 2.7985, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"315\", \"component\": \"LYS\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7985, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:P:UNX:177:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 2.7985, "minimum_chain_distance_angstrom": 2.7985, "minimum_core_distance_angstrom": 7.0707, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:P:UNX:177:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5743, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0142, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1097, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0747, \"uniprot_position\": 292}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5743, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0142, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1097, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0747, \"uniprot_position\": 292}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.926, \"uniprot_position\": 343}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5743, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0142, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": 290}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale12\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "178", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale12\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:Q:UNX:178:.", "nearest_polypeptide_distance_angstrom": 3.0747, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5743, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0142, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1097, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0747, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.926, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:Q:UNX:178:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 3.0747, "minimum_chain_distance_angstrom": 3.0747, "minimum_core_distance_angstrom": 3.2569, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:Q:UNX:178:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6615, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8994, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1279, \"uniprot_position\": 292}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6615, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8994, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1279, \"uniprot_position\": 292}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6615, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8994, \"uniprot_position\": 289}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale13\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "179", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale13\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:R:UNX:179:.", "nearest_polypeptide_distance_angstrom": 3.1279, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6615, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8994, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1279, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:R:UNX:179:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 3.1279, "minimum_chain_distance_angstrom": 3.1279, "minimum_core_distance_angstrom": 4.6615, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:R:UNX:179:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8996, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8329, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8919, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.401, \"uniprot_position\": 292}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8996, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8329, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8919, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.401, \"uniprot_position\": 292}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"352\", \"component\": \"ILE\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1985, \"uniprot_position\": 352}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8996, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8329, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8919, \"uniprot_position\": 290}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "180", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:S:UNX:180:.", "nearest_polypeptide_distance_angstrom": 2.8996, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8996, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8329, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8919, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.401, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"352\", \"component\": \"ILE\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1985, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:S:UNX:180:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": 2.8996, "minimum_chain_distance_angstrom": 2.8996, "minimum_core_distance_angstrom": 2.8996, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:S:UNX:180:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9635, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7866, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8791, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.264, \"uniprot_position\": 292}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9635, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7866, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8791, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.264, \"uniprot_position\": 292}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5993, \"uniprot_position\": 346}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9635, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7866, \"uniprot_position\": 290}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale12\", \"PDB:1KHC:CONN:covale13\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "181", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale12\", \"PDB:1KHC:CONN:covale13\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:T:UNX:181:.", "nearest_polypeptide_distance_angstrom": 3.9635, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9635, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7866, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8791, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"292\", \"component\": \"GLN\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.264, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5993, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:T:UNX:181:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 3.9635, "minimum_chain_distance_angstrom": 3.9635, "minimum_core_distance_angstrom": 3.9635, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:T:UNX:181:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8256, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7113, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3922, \"uniprot_position\": 291}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8256, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7113, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3922, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8873, \"uniprot_position\": 343}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"344\", \"component\": \"HIS\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1878, \"uniprot_position\": 344}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"345\", \"component\": \"GLY\", \"entity_position\": 127, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8063, \"uniprot_position\": 345}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4149, \"uniprot_position\": 346}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"347\", \"component\": \"PHE\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8458, \"uniprot_position\": 347}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8256, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7113, \"uniprot_position\": 290}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale14\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "182", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale14\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:U:UNX:182:.", "nearest_polypeptide_distance_angstrom": 2.8873, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8256, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7113, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3922, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8873, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"344\", \"component\": \"HIS\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1878, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"345\", \"component\": \"GLY\", \"entity_position\": 127, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8063, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4149, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"347\", \"component\": \"PHE\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8458, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:U:UNX:182:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": 3.7113, "minimum_chain_distance_angstrom": 2.8873, "minimum_core_distance_angstrom": 3.7113, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:U:UNX:182:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7618, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8744, \"uniprot_position\": 291}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7618, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8744, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7816, \"uniprot_position\": 343}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"344\", \"component\": \"HIS\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9037, \"uniprot_position\": 344}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"345\", \"component\": \"GLY\", \"entity_position\": 127, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6169, \"uniprot_position\": 345}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0183, \"uniprot_position\": 346}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7618, \"uniprot_position\": 290}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale14\"]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "183", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[\"PDB:1KHC:CONN:covale14\"]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:V:UNX:183:.", "nearest_polypeptide_distance_angstrom": 2.8744, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7618, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"SER\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8744, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7816, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"344\", \"component\": \"HIS\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9037, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"345\", \"component\": \"GLY\", \"entity_position\": 127, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6169, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0183, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:V:UNX:183:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 2.8744, "minimum_chain_distance_angstrom": 2.8744, "minimum_core_distance_angstrom": 4.7618, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:V:UNX:183:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5292, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7781, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5071, \"uniprot_position\": 290}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5292, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7781, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5071, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5845, \"uniprot_position\": 343}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9313, \"uniprot_position\": 346}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"347\", \"component\": \"PHE\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3618, \"uniprot_position\": 347}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"352\", \"component\": \"ILE\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.175, \"uniprot_position\": 352}]", "chain_id": "PDB:1KHC:CHAIN:A:UP:O88509", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5292, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7781, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5071, \"uniprot_position\": 290}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "gene": "Dnmt3b", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "184", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA cytosine-5 methyltransferase 3B2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 147, \"uniprot_ids\": [\"O88509\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:1KHC:LIG:W:UNX:184:.", "nearest_polypeptide_distance_angstrom": 2.5292, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "1KHC", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5292, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"LEU\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7781, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5071, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"ALA\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5845, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"346\", \"component\": \"GLY\", \"entity_position\": 128, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9313, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"347\", \"component\": \"PHE\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3618, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"352\", \"component\": \"ILE\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.175, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Dnmt3b__TAX10090__O88509/Unclassified_Review/1KHC/original.cif", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:1KHC:LIG:W:UNX:184:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 2.5292, "minimum_chain_distance_angstrom": 2.5292, "minimum_core_distance_angstrom": 2.5292, "multiple_contacting_mapped_chains": 0, "pdb_id": "1KHC", "protein_id": "UP:O88509", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:1KHC:LIG:W:UNX:184:.:SITE:UP:O88509:PWWP1:A", "source_coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8381, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.312, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8298, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9924, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2467, \"uniprot_position\": 1152}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8381, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.312, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8298, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9924, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2467, \"uniprot_position\": 1152}]", "chain_id": "PDB:3L42:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8381, \"uniprot_position\": 1147}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.312, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8298, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9924, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2467, \"uniprot_position\": 1152}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:3L42:LIG:B:UNX:1:.", "nearest_polypeptide_distance_angstrom": 2.8298, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.01, "occupancy_min": 0.01, "pdb_id": "3L42", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1147\", \"component\": \"PHE\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8381, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.312, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8298, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9924, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2467, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Unclassified_Review/3L42/original.cif", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3L42:LIG:B:UNX:1:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.8298, "minimum_chain_distance_angstrom": 2.8298, "minimum_core_distance_angstrom": 2.8298, "multiple_contacting_mapped_chains": 0, "pdb_id": "3L42", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3L42:LIG:B:UNX:1:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9553, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1159}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9873, \"uniprot_position\": 1081}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8157, \"uniprot_position\": 1082}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9553, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1159}]", "chain_id": "PDB:3L42:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9553, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": 1159}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:3L42:LIG:C:UNX:2:.", "nearest_polypeptide_distance_angstrom": 2.9502, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.01, "occupancy_min": 0.01, "pdb_id": "3L42", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9873, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8157, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9553, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.743, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Unclassified_Review/3L42/original.cif", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3L42:LIG:C:UNX:2:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.9502, "minimum_chain_distance_angstrom": 2.9502, "minimum_core_distance_angstrom": 2.9502, "multiple_contacting_mapped_chains": 0, "pdb_id": "3L42", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3L42:LIG:C:UNX:2:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1131\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9703, \"uniprot_position\": 1131}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1135\", \"component\": \"THR\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": 1135}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1142\", \"component\": \"LEU\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0531, \"uniprot_position\": 1142}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1156\", \"component\": \"TRP\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3018, \"uniprot_position\": 1156}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1131\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9703, \"uniprot_position\": 1131}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1135\", \"component\": \"THR\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": 1135}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1142\", \"component\": \"LEU\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0531, \"uniprot_position\": 1142}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1156\", \"component\": \"TRP\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3018, \"uniprot_position\": 1156}]", "chain_id": "PDB:3L42:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1131\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9703, \"uniprot_position\": 1131}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1135\", \"component\": \"THR\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": 1135}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1142\", \"component\": \"LEU\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0531, \"uniprot_position\": 1142}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1156\", \"component\": \"TRP\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3018, \"uniprot_position\": 1156}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:3L42:LIG:D:UNX:3:.", "nearest_polypeptide_distance_angstrom": 2.383, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.01, "occupancy_min": 0.01, "pdb_id": "3L42", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1131\", \"component\": \"GLY\", \"entity_position\": 54, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9703, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1135\", \"component\": \"THR\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1142\", \"component\": \"LEU\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0531, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1156\", \"component\": \"TRP\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3018, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Unclassified_Review/3L42/original.cif", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3L42:LIG:D:UNX:3:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.383, "minimum_chain_distance_angstrom": 2.383, "minimum_core_distance_angstrom": 2.383, "multiple_contacting_mapped_chains": 0, "pdb_id": "3L42", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3L42:LIG:D:UNX:3:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1075, \"uniprot_position\": 8}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.793, \"uniprot_position\": 24}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2025, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"26\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0764, \"uniprot_position\": 26}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"27\", \"component\": \"ASP\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1479, \"uniprot_position\": 27}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8465, \"uniprot_position\": 89}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"7\", \"component\": \"PRO\", \"entity_position\": 8, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8708, \"uniprot_position\": 7}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1075, \"uniprot_position\": 8}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.793, \"uniprot_position\": 24}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2025, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"26\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0764, \"uniprot_position\": 26}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"27\", \"component\": \"ASP\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1479, \"uniprot_position\": 27}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8465, \"uniprot_position\": 89}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"7\", \"component\": \"PRO\", \"entity_position\": 8, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8708, \"uniprot_position\": 7}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1075, \"uniprot_position\": 8}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.793, \"uniprot_position\": 24}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2025, \"uniprot_position\": 25}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"26\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0764, \"uniprot_position\": 26}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"27\", \"component\": \"ASP\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1479, \"uniprot_position\": 27}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "94", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:E:UNX:94:.", "nearest_polypeptide_distance_angstrom": 3.793, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"7\", \"component\": \"PRO\", \"entity_position\": 8, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8708, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1075, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.793, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2025, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"26\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0764, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"27\", \"component\": \"ASP\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1479, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8465, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:E:UNX:94:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 3.793, "minimum_chain_distance_angstrom": 3.793, "minimum_core_distance_angstrom": 3.793, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:E:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.822, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8862, \"uniprot_position\": 76}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2809, \"uniprot_position\": 77}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7575, \"uniprot_position\": 78}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6313, \"uniprot_position\": 79}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.822, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8862, \"uniprot_position\": 76}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2809, \"uniprot_position\": 77}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7575, \"uniprot_position\": 78}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6313, \"uniprot_position\": 79}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "95", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:F:UNX:95:.", "nearest_polypeptide_distance_angstrom": 3.6313, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.822, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8862, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2809, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7575, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6313, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:F:UNX:95:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 3.6313, "minimum_chain_distance_angstrom": 3.6313, "minimum_core_distance_angstrom": 7.0346, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:F:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4657, \"uniprot_position\": 78}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4657, \"uniprot_position\": 78}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "96", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:G:UNX:96:.", "nearest_polypeptide_distance_angstrom": 3.4657, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4657, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:G:UNX:96:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 3.4657, "minimum_chain_distance_angstrom": 3.4657, "minimum_core_distance_angstrom": 10.7379, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:G:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2324, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2156, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0281, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0834, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1943, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2324, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2156, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0281, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0834, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1943, \"uniprot_position\": 49}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2324, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2156, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0281, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0834, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1943, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "97", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:H:UNX:97:.", "nearest_polypeptide_distance_angstrom": 4.0281, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2324, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2156, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0281, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0834, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1943, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:H:UNX:97:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 4.0281, "minimum_chain_distance_angstrom": 4.0281, "minimum_core_distance_angstrom": 4.0281, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:H:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5322, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.302, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8441, \"uniprot_position\": 50}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5322, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.302, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8441, \"uniprot_position\": 50}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5322, \"uniprot_position\": 48}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.302, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8441, \"uniprot_position\": 50}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "98", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "nearest_polypeptide_distance_angstrom": 3.8441, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5322, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8441, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.8441, "minimum_chain_distance_angstrom": 3.8441, "minimum_core_distance_angstrom": 3.8441, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0275, \"uniprot_position\": 14}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0275, \"uniprot_position\": 14}]", "chain_id": "PDB:3QBY:CHAIN:C:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0275, \"uniprot_position\": 14}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "98", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "nearest_polypeptide_distance_angstrom": 3.8441, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5322, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.302, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8441, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 4.0275, "minimum_chain_distance_angstrom": 4.0275, "minimum_core_distance_angstrom": 4.0275, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0072, \"uniprot_position\": 61}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"65\", \"component\": \"LYS\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1548, \"uniprot_position\": 65}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"85\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3668, \"uniprot_position\": 85}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0072, \"uniprot_position\": 61}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"65\", \"component\": \"LYS\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1548, \"uniprot_position\": 65}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"85\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3668, \"uniprot_position\": 85}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0072, \"uniprot_position\": 61}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "99", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:J:UNX:99:.", "nearest_polypeptide_distance_angstrom": 3.0072, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0072, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"65\", \"component\": \"LYS\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1548, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"85\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3668, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:J:UNX:99:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.0072, "minimum_chain_distance_angstrom": 3.0072, "minimum_core_distance_angstrom": 3.0072, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:J:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.665, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8593, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8202, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"20\", \"component\": \"HIS\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8643, \"uniprot_position\": 20}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.665, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8593, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8202, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"20\", \"component\": \"HIS\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8643, \"uniprot_position\": 20}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.665, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8593, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8202, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"20\", \"component\": \"HIS\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8643, \"uniprot_position\": 20}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "100", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:K:UNX:100:.", "nearest_polypeptide_distance_angstrom": 3.8202, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.665, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8593, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8202, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"20\", \"component\": \"HIS\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8643, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:K:UNX:100:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.8202, "minimum_chain_distance_angstrom": 3.8202, "minimum_core_distance_angstrom": 3.8202, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:K:UNX:100:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.076, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6654, \"uniprot_position\": 75}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.076, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6654, \"uniprot_position\": 75}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "101", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:L:UNX:101:.", "nearest_polypeptide_distance_angstrom": 3.6654, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.076, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6654, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:L:UNX:101:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 3.6654, "minimum_chain_distance_angstrom": 3.6654, "minimum_core_distance_angstrom": 6.9086, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:L:UNX:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5784, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"72\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.574, \"uniprot_position\": 72}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0986, \"uniprot_position\": 74}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5784, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"72\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.574, \"uniprot_position\": 72}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0986, \"uniprot_position\": 74}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5784, \"uniprot_position\": 19}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "102", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:M:UNX:102:.", "nearest_polypeptide_distance_angstrom": 3.574, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5784, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"72\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.574, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0986, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:M:UNX:102:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 3.574, "minimum_chain_distance_angstrom": 3.574, "minimum_core_distance_angstrom": 3.5784, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:M:UNX:102:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4515, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4012, \"uniprot_position\": 16}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2549, \"uniprot_position\": 17}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4224, \"uniprot_position\": 18}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4515, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4012, \"uniprot_position\": 16}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2549, \"uniprot_position\": 17}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4224, \"uniprot_position\": 18}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4515, \"uniprot_position\": 14}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4012, \"uniprot_position\": 16}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2549, \"uniprot_position\": 17}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4224, \"uniprot_position\": 18}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "103", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:N:UNX:103:.", "nearest_polypeptide_distance_angstrom": 3.2549, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"14\", \"component\": \"LYS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4515, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4012, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2549, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4224, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:N:UNX:103:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 3.2549, "minimum_chain_distance_angstrom": 3.2549, "minimum_core_distance_angstrom": 3.2549, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:N:UNX:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1807, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7687, \"uniprot_position\": 93}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "104", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:O:UNX:104:.", "nearest_polypeptide_distance_angstrom": 3.1807, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1807, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7687, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:O:UNX:104:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 5.8112, "minimum_chain_distance_angstrom": 3.1807, "minimum_core_distance_angstrom": 5.8112, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:O:UNX:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"9\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8129, \"uniprot_position\": 9}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"3\", \"component\": \"HIS\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7869, \"uniprot_position\": 3}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"4\", \"component\": \"ALA\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7063, \"uniprot_position\": 4}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"5\", \"component\": \"PHE\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2244, \"uniprot_position\": 5}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"6\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.419, \"uniprot_position\": 6}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"9\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8129, \"uniprot_position\": 9}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"9\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8129, \"uniprot_position\": 9}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "105", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:P:UNX:105:.", "nearest_polypeptide_distance_angstrom": 2.7063, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"3\", \"component\": \"HIS\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7869, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"4\", \"component\": \"ALA\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7063, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"5\", \"component\": \"PHE\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2244, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"6\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.419, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"9\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8129, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:P:UNX:105:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 2.8129, "minimum_chain_distance_angstrom": 2.7063, "minimum_core_distance_angstrom": 2.8129, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:P:UNX:105:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"10\", \"component\": \"LEU\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0901, \"uniprot_position\": 10}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.128, \"uniprot_position\": 60}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6055, \"uniprot_position\": 61}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"62\", \"component\": \"ASP\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": 62}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6866, \"uniprot_position\": 63}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"10\", \"component\": \"LEU\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0901, \"uniprot_position\": 10}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.128, \"uniprot_position\": 60}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6055, \"uniprot_position\": 61}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"62\", \"component\": \"ASP\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": 62}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6866, \"uniprot_position\": 63}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"10\", \"component\": \"LEU\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0901, \"uniprot_position\": 10}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.128, \"uniprot_position\": 60}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6055, \"uniprot_position\": 61}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"62\", \"component\": \"ASP\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": 62}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6866, \"uniprot_position\": 63}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "106", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:Q:UNX:106:.", "nearest_polypeptide_distance_angstrom": 3.0073, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"10\", \"component\": \"LEU\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0901, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.128, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"61\", \"component\": \"TYR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6055, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"62\", \"component\": \"ASP\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6866, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:Q:UNX:106:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 3.0073, "minimum_chain_distance_angstrom": 3.0073, "minimum_core_distance_angstrom": 3.0073, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:Q:UNX:106:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4464, \"uniprot_position\": 60}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9771, \"uniprot_position\": 63}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4464, \"uniprot_position\": 60}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9771, \"uniprot_position\": 63}]", "chain_id": "PDB:3QBY:CHAIN:B:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4464, \"uniprot_position\": 60}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9771, \"uniprot_position\": 63}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "96", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:T:UNX:96:.", "nearest_polypeptide_distance_angstrom": 3.4464, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"60\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4464, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"63\", \"component\": \"LYS\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9771, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:T:UNX:96:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 3.4464, "minimum_chain_distance_angstrom": 3.4464, "minimum_core_distance_angstrom": 3.4464, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:T:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3007, \"uniprot_position\": 91}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"92\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7851, \"uniprot_position\": 92}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7369, \"uniprot_position\": 93}]", "chain_id": "PDB:3QBY:CHAIN:B:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "97", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:U:UNX:97:.", "nearest_polypeptide_distance_angstrom": 3.3007, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3007, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"92\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7851, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7369, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:U:UNX:97:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": 5.3135, "minimum_chain_distance_angstrom": 3.3007, "minimum_core_distance_angstrom": 5.3135, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:U:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8124, \"uniprot_position\": 48}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8124, \"uniprot_position\": 48}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"92\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5626, \"uniprot_position\": 92}]", "chain_id": "PDB:3QBY:CHAIN:B:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8124, \"uniprot_position\": 48}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "98", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:V:UNX:98:.", "nearest_polypeptide_distance_angstrom": 3.5626, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"48\", \"component\": \"HIS\", \"entity_position\": 49, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8124, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"92\", \"component\": \"TYR\", \"entity_position\": 93, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5626, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:V:UNX:98:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 3.8124, "minimum_chain_distance_angstrom": 3.5626, "minimum_core_distance_angstrom": 3.8124, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:V:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.609, \"uniprot_position\": 8}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7787, \"uniprot_position\": 24}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7997, \"uniprot_position\": 25}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 89, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2592, \"uniprot_position\": 88}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9295, \"uniprot_position\": 89}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.609, \"uniprot_position\": 8}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7787, \"uniprot_position\": 24}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7997, \"uniprot_position\": 25}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 89, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2592, \"uniprot_position\": 88}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9295, \"uniprot_position\": 89}]", "chain_id": "PDB:3QBY:CHAIN:B:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.609, \"uniprot_position\": 8}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7787, \"uniprot_position\": 24}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7997, \"uniprot_position\": 25}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "99", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:W:UNX:99:.", "nearest_polypeptide_distance_angstrom": 2.9295, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"8\", \"component\": \"GLY\", \"entity_position\": 9, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.609, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"24\", \"component\": \"ARG\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7787, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"25\", \"component\": \"ILE\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7997, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 89, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2592, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"89\", \"component\": \"HIS\", \"entity_position\": 90, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9295, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:W:UNX:99:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 2.9295, "minimum_chain_distance_angstrom": 2.9295, "minimum_core_distance_angstrom": 3.609, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3836, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0875, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7557, \"uniprot_position\": 51}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3836, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0875, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7557, \"uniprot_position\": 51}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3836, \"uniprot_position\": 49}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0875, \"uniprot_position\": 50}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7557, \"uniprot_position\": 51}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "94", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "nearest_polypeptide_distance_angstrom": 3.0875, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3836, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0875, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7557, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6431, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.379, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3519, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 3.0875, "minimum_chain_distance_angstrom": 3.0875, "minimum_core_distance_angstrom": 3.0875, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6431, \"uniprot_position\": 17}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.379, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 19}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3519, \"uniprot_position\": 74}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6431, \"uniprot_position\": 17}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.379, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 19}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3519, \"uniprot_position\": 74}]", "chain_id": "PDB:3QBY:CHAIN:C:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6431, \"uniprot_position\": 17}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.379, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": 19}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "94", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "nearest_polypeptide_distance_angstrom": 3.0875, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3836, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"50\", \"component\": \"THR\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0875, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"51\", \"component\": \"ALA\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7557, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"17\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6431, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.379, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5495, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3519, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 3.3519, "minimum_chain_distance_angstrom": 3.3519, "minimum_core_distance_angstrom": 3.379, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4585, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1398, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9885, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7312, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4585, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1398, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9885, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7312, \"uniprot_position\": 49}]", "chain_id": "PDB:3QBY:CHAIN:C:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4585, \"uniprot_position\": 18}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": 21}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1398, \"uniprot_position\": 44}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9885, \"uniprot_position\": 47}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7312, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "95", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:Y:UNX:95:.", "nearest_polypeptide_distance_angstrom": 3.7312, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4585, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1398, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9885, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7312, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:Y:UNX:95:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": 3.7312, "minimum_chain_distance_angstrom": 3.7312, "minimum_core_distance_angstrom": 3.7312, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"33\", \"component\": \"VAL\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0178, \"uniprot_position\": 33}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"33\", \"component\": \"VAL\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0178, \"uniprot_position\": 33}]", "chain_id": "PDB:3QBY:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"33\", \"component\": \"VAL\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0178, \"uniprot_position\": 33}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "96", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "nearest_polypeptide_distance_angstrom": 3.23, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"33\", \"component\": \"VAL\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0178, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6152, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.23, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"53\", \"component\": \"LEU\", \"entity_position\": 54, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6268, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": 4.0178, "minimum_chain_distance_angstrom": 4.0178, "minimum_core_distance_angstrom": 4.0178, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.23, \"uniprot_position\": 16}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"53\", \"component\": \"LEU\", \"entity_position\": 54, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6268, \"uniprot_position\": 53}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.23, \"uniprot_position\": 16}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"53\", \"component\": \"LEU\", \"entity_position\": 54, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6268, \"uniprot_position\": 53}]", "chain_id": "PDB:3QBY:CHAIN:C:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6152, \"uniprot_position\": 15}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.23, \"uniprot_position\": 16}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"53\", \"component\": \"LEU\", \"entity_position\": 54, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6268, \"uniprot_position\": 53}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "96", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}, {\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "nearest_polypeptide_distance_angstrom": 3.23, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QBY", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"33\", \"component\": \"VAL\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0178, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6152, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"16\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.23, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"53\", \"component\": \"LEU\", \"entity_position\": 54, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6268, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QBY/original.cif", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": 3.23, "minimum_chain_distance_angstrom": 3.23, "minimum_core_distance_angstrom": 3.23, "multiple_contacting_mapped_chains": 1, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4939, \"uniprot_position\": 93}]", "chain_id": "PDB:3QJ6:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "95", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:3QJ6:LIG:D:UNX:95:.", "nearest_polypeptide_distance_angstrom": 3.4, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QJ6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"SER\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"SER\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4939, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QJ6/original.cif", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QJ6:LIG:D:UNX:95:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 5.6565, "minimum_chain_distance_angstrom": 3.4, "minimum_core_distance_angstrom": 5.6565, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QJ6:LIG:D:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"59\", \"component\": \"PHE\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4811, \"uniprot_position\": 59}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"67\", \"component\": \"LYS\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2176, \"uniprot_position\": 67}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"68\", \"component\": \"TYR\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2213, \"uniprot_position\": 68}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"59\", \"component\": \"PHE\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4811, \"uniprot_position\": 59}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"67\", \"component\": \"LYS\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2176, \"uniprot_position\": 67}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"68\", \"component\": \"TYR\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2213, \"uniprot_position\": 68}]", "chain_id": "PDB:3QJ6:CHAIN:A:UP:Q7Z4V5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"59\", \"component\": \"PHE\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4811, \"uniprot_position\": 59}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "gene": "HDGFL2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "96", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Hepatoma-derived growth factor-related protein 2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:3QJ6:LIG:E:UNX:96:.", "nearest_polypeptide_distance_angstrom": 3.2213, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3QJ6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"59\", \"component\": \"PHE\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4811, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"67\", \"component\": \"LYS\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2176, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"68\", \"component\": \"TYR\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2213, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/Complexes/3QJ6/original.cif", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3QJ6:LIG:E:UNX:96:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 3.2213, "minimum_chain_distance_angstrom": 3.2213, "minimum_core_distance_angstrom": 3.4811, "multiple_contacting_mapped_chains": 0, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3QJ6:LIG:E:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"-3\", \"component\": \"TYR\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"-2\", \"component\": \"PHE\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5108, \"uniprot_position\": null}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "gene": "PSIP1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "205", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PC4 and SFRS1-interacting protein\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 153, \"uniprot_ids\": [\"O75475\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:F:UNX:205:.", "nearest_polypeptide_distance_angstrom": 2.8752, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4FU6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"-3\", \"component\": \"TYR\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"-2\", \"component\": \"PHE\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5108, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PSIP1__HUMAN__O75475/Unclassified_Review/4FU6/original.cif", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4FU6:LIG:F:UNX:205:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 9.963, "minimum_chain_distance_angstrom": 2.8752, "minimum_core_distance_angstrom": 5.3415, "multiple_contacting_mapped_chains": 0, "pdb_id": "4FU6", "protein_id": "UP:O75475", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4FU6:LIG:F:UNX:205:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8904, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8904, \"uniprot_position\": 49}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8904, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "gene": "PSIP1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "206", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PC4 and SFRS1-interacting protein\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 153, \"uniprot_ids\": [\"O75475\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:G:UNX:206:.", "nearest_polypeptide_distance_angstrom": 2.8904, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4FU6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8904, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PSIP1__HUMAN__O75475/Unclassified_Review/4FU6/original.cif", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4FU6:LIG:G:UNX:206:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.8904, "minimum_chain_distance_angstrom": 2.8904, "minimum_core_distance_angstrom": 2.8904, "multiple_contacting_mapped_chains": 0, "pdb_id": "4FU6", "protein_id": "UP:O75475", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4FU6:LIG:G:UNX:206:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7566, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7817, \"uniprot_position\": 75}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6397, \"uniprot_position\": 76}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9245, \"uniprot_position\": 77}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6079, \"uniprot_position\": 78}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6591, \"uniprot_position\": 79}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7566, \"uniprot_position\": 74}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7817, \"uniprot_position\": 75}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6397, \"uniprot_position\": 76}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9245, \"uniprot_position\": 77}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6079, \"uniprot_position\": 78}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6591, \"uniprot_position\": 79}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "gene": "PSIP1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "207", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PC4 and SFRS1-interacting protein\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 153, \"uniprot_ids\": [\"O75475\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:H:UNX:207:.", "nearest_polypeptide_distance_angstrom": 3.6079, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4FU6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"74\", \"component\": \"ARG\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7566, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"75\", \"component\": \"LYS\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7817, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"76\", \"component\": \"GLY\", \"entity_position\": 94, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6397, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"77\", \"component\": \"PHE\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9245, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"78\", \"component\": \"ASN\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6079, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"79\", \"component\": \"GLU\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6591, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PSIP1__HUMAN__O75475/Unclassified_Review/4FU6/original.cif", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4FU6:LIG:H:UNX:207:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.6079, "minimum_chain_distance_angstrom": 3.6079, "minimum_core_distance_angstrom": 7.0013, "multiple_contacting_mapped_chains": 0, "pdb_id": "4FU6", "protein_id": "UP:O75475", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4FU6:LIG:H:UNX:207:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5816, \"uniprot_position\": 18}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5816, \"uniprot_position\": 18}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5816, \"uniprot_position\": 18}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "gene": "PSIP1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "208", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PC4 and SFRS1-interacting protein\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 153, \"uniprot_ids\": [\"O75475\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:I:UNX:208:.", "nearest_polypeptide_distance_angstrom": 4.5816, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4FU6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5816, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PSIP1__HUMAN__O75475/Unclassified_Review/4FU6/original.cif", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4FU6:LIG:I:UNX:208:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 4.5816, "minimum_chain_distance_angstrom": 4.5816, "minimum_core_distance_angstrom": 4.5816, "multiple_contacting_mapped_chains": 0, "pdb_id": "4FU6", "protein_id": "UP:O75475", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4FU6:LIG:I:UNX:208:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"86\", \"component\": \"ASN\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6592, \"uniprot_position\": 86}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"87\", \"component\": \"ASN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8211, \"uniprot_position\": 87}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.298, \"uniprot_position\": 88}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0327, \"uniprot_position\": 89}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"86\", \"component\": \"ASN\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6592, \"uniprot_position\": 86}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"87\", \"component\": \"ASN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8211, \"uniprot_position\": 87}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.298, \"uniprot_position\": 88}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0327, \"uniprot_position\": 89}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"90\", \"component\": \"VAL\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2649, \"uniprot_position\": 90}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "gene": "PSIP1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "209", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PC4 and SFRS1-interacting protein\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 153, \"uniprot_ids\": [\"O75475\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:J:UNX:209:.", "nearest_polypeptide_distance_angstrom": 2.8211, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4FU6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"86\", \"component\": \"ASN\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6592, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"87\", \"component\": \"ASN\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8211, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"88\", \"component\": \"PRO\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.298, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"89\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0327, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"90\", \"component\": \"VAL\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2649, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PSIP1__HUMAN__O75475/Unclassified_Review/4FU6/original.cif", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4FU6:LIG:J:UNX:209:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.8211, "minimum_chain_distance_angstrom": 2.8211, "minimum_core_distance_angstrom": 7.0064, "multiple_contacting_mapped_chains": 0, "pdb_id": "4FU6", "protein_id": "UP:O75475", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4FU6:LIG:J:UNX:209:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7552, \"uniprot_position\": 525}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7552, \"uniprot_position\": 525}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7552, \"uniprot_position\": 525}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:C:UNX:3002:.", "nearest_polypeptide_distance_angstrom": 4.7552, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7552, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:C:UNX:3002:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 4.7552, "minimum_chain_distance_angstrom": 4.7552, "minimum_core_distance_angstrom": 4.7552, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:C:UNX:3002:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"522\", \"component\": \"SER\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.724, \"uniprot_position\": 522}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"TRP\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": 523}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.989, \"uniprot_position\": 524}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"522\", \"component\": \"SER\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.724, \"uniprot_position\": 522}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"TRP\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": 523}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.989, \"uniprot_position\": 524}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"522\", \"component\": \"SER\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.724, \"uniprot_position\": 522}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"TRP\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": 523}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.989, \"uniprot_position\": 524}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:D:UNX:3003:.", "nearest_polypeptide_distance_angstrom": 2.724, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"522\", \"component\": \"SER\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.724, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"TRP\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.989, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:D:UNX:3003:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 2.724, "minimum_chain_distance_angstrom": 2.724, "minimum_core_distance_angstrom": 2.724, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:D:UNX:3003:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"491\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8832, \"uniprot_position\": 491}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASP\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2972, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"493\", \"component\": \"ILE\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6319, \"uniprot_position\": 493}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"507\", \"component\": \"ARG\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9897, \"uniprot_position\": 507}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"573\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5176, \"uniprot_position\": 573}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"491\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8832, \"uniprot_position\": 491}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASP\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2972, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"493\", \"component\": \"ILE\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6319, \"uniprot_position\": 493}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"507\", \"component\": \"ARG\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9897, \"uniprot_position\": 507}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"573\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5176, \"uniprot_position\": 573}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"491\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8832, \"uniprot_position\": 491}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASP\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2972, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"493\", \"component\": \"ILE\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6319, \"uniprot_position\": 493}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"507\", \"component\": \"ARG\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9897, \"uniprot_position\": 507}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:E:UNX:3004:.", "nearest_polypeptide_distance_angstrom": 2.8832, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"491\", \"component\": \"GLY\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8832, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASP\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2972, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"493\", \"component\": \"ILE\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6319, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"507\", \"component\": \"ARG\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9897, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"573\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5176, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:E:UNX:3004:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.8832, "minimum_chain_distance_angstrom": 2.8832, "minimum_core_distance_angstrom": 2.8832, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:E:UNX:3004:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0499, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2779, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.057, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1309, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": 501}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0499, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2779, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.057, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1309, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": 501}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0499, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2779, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.057, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1309, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": 501}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:F:UNX:3005:.", "nearest_polypeptide_distance_angstrom": 3.0499, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0499, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2779, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.057, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"GLY\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1309, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:F:UNX:3005:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 3.0499, "minimum_chain_distance_angstrom": 3.0499, "minimum_core_distance_angstrom": 3.0499, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:F:UNX:3005:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8064, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7815, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8743, \"uniprot_position\": 499}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8064, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7815, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8743, \"uniprot_position\": 499}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8064, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7815, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8743, \"uniprot_position\": 499}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:G:UNX:3006:.", "nearest_polypeptide_distance_angstrom": 2.8064, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"LYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8064, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7815, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"HIS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8743, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:G:UNX:3006:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.8064, "minimum_chain_distance_angstrom": 2.8064, "minimum_core_distance_angstrom": 2.8064, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:G:UNX:3006:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"512\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7736, \"uniprot_position\": 512}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8736, \"uniprot_position\": 525}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"538\", \"component\": \"PHE\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.821, \"uniprot_position\": 538}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"512\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7736, \"uniprot_position\": 512}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8736, \"uniprot_position\": 525}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"538\", \"component\": \"PHE\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.821, \"uniprot_position\": 538}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"512\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7736, \"uniprot_position\": 512}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8736, \"uniprot_position\": 525}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"538\", \"component\": \"PHE\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.821, \"uniprot_position\": 538}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP2B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "3007", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein 2B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 117, \"uniprot_ids\": [\"Q6NUJ5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:H:UNX:3007:.", "nearest_polypeptide_distance_angstrom": 2.8736, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4LD6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"512\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7736, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"525\", \"component\": \"GLU\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8736, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"538\", \"component\": \"PHE\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.821, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP2B__HUMAN__Q6NUJ5/Unclassified_Review/4LD6/original.cif", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4LD6:LIG:H:UNX:3007:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.8736, "minimum_chain_distance_angstrom": 2.8736, "minimum_core_distance_angstrom": 2.8736, "multiple_contacting_mapped_chains": 0, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4LD6:LIG:H:UNX:3007:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"971\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2436, \"uniprot_position\": 971}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"971\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2436, \"uniprot_position\": 971}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"971\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2436, \"uniprot_position\": 971}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1101", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:B:UNX:1101:.", "nearest_polypeptide_distance_angstrom": 4.2436, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"971\", \"component\": \"TYR\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2436, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:B:UNX:1101:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 4.2436, "minimum_chain_distance_angstrom": 4.2436, "minimum_core_distance_angstrom": 4.2436, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:B:UNX:1101:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"985\", \"component\": \"PRO\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4946, \"uniprot_position\": 985}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"987\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8541, \"uniprot_position\": 987}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0197, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8856, \"uniprot_position\": 1008}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"985\", \"component\": \"PRO\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4946, \"uniprot_position\": 985}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"987\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8541, \"uniprot_position\": 987}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0197, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8856, \"uniprot_position\": 1008}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"985\", \"component\": \"PRO\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4946, \"uniprot_position\": 985}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"987\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8541, \"uniprot_position\": 987}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0197, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8856, \"uniprot_position\": 1008}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1102", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:C:UNX:1102:.", "nearest_polypeptide_distance_angstrom": 2.8541, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"985\", \"component\": \"PRO\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4946, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"987\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8541, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0197, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8856, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:C:UNX:1102:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.8541, "minimum_chain_distance_angstrom": 2.8541, "minimum_core_distance_angstrom": 2.8541, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:C:UNX:1102:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1055\", \"component\": \"ARG\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4809, \"uniprot_position\": 1055}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1103", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:D:UNX:1103:.", "nearest_polypeptide_distance_angstrom": 4.4809, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1055\", \"component\": \"ARG\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4809, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:D:UNX:1103:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 5.4925, "minimum_chain_distance_angstrom": 4.4809, "minimum_core_distance_angstrom": 24.9114, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:D:UNX:1103:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1043\", \"component\": \"GLU\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7708, \"uniprot_position\": 1043}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1044\", \"component\": \"ALA\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7252, \"uniprot_position\": 1044}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1046\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7917, \"uniprot_position\": 1046}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1047\", \"component\": \"ARG\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8357, \"uniprot_position\": 1047}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1043\", \"component\": \"GLU\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7708, \"uniprot_position\": 1043}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1044\", \"component\": \"ALA\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7252, \"uniprot_position\": 1044}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1046\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7917, \"uniprot_position\": 1046}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1047\", \"component\": \"ARG\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8357, \"uniprot_position\": 1047}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1104", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:E:UNX:1104:.", "nearest_polypeptide_distance_angstrom": 2.7708, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1043\", \"component\": \"GLU\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7708, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1044\", \"component\": \"ALA\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7252, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1046\", \"component\": \"LYS\", \"entity_position\": 95, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7917, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1047\", \"component\": \"ARG\", \"entity_position\": 96, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8357, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:E:UNX:1104:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.7708, "minimum_chain_distance_angstrom": 2.7708, "minimum_core_distance_angstrom": 19.6543, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:E:UNX:1104:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"957\", \"component\": \"LYS\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5607, \"uniprot_position\": 957}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"958\", \"component\": \"LEU\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4866, \"uniprot_position\": 958}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1105", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:F:UNX:1105:.", "nearest_polypeptide_distance_angstrom": 3.5607, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"957\", \"component\": \"LYS\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5607, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"958\", \"component\": \"LEU\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4866, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:F:UNX:1105:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 8.6295, "minimum_chain_distance_angstrom": 3.5607, "minimum_core_distance_angstrom": 8.6295, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:F:UNX:1105:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1021\", \"component\": \"GLU\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4496, \"uniprot_position\": 1021}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1021\", \"component\": \"GLU\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4496, \"uniprot_position\": 1021}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1021\", \"component\": \"GLU\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4496, \"uniprot_position\": 1021}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1106", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:G:UNX:1106:.", "nearest_polypeptide_distance_angstrom": 2.4496, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1021\", \"component\": \"GLU\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4496, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:G:UNX:1106:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.4496, "minimum_chain_distance_angstrom": 2.4496, "minimum_core_distance_angstrom": 2.4496, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:G:UNX:1106:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9746, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1006\", \"component\": \"HIS\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.495, \"uniprot_position\": 1006}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1007\", \"component\": \"ASP\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2753, \"uniprot_position\": 1007}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0551, \"uniprot_position\": 1008}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9746, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1006\", \"component\": \"HIS\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.495, \"uniprot_position\": 1006}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1007\", \"component\": \"ASP\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2753, \"uniprot_position\": 1007}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0551, \"uniprot_position\": 1008}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9746, \"uniprot_position\": 988}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1006\", \"component\": \"HIS\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.495, \"uniprot_position\": 1006}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1007\", \"component\": \"ASP\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2753, \"uniprot_position\": 1007}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0551, \"uniprot_position\": 1008}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1107", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:H:UNX:1107:.", "nearest_polypeptide_distance_angstrom": 3.0551, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"988\", \"component\": \"ILE\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9746, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1006\", \"component\": \"HIS\", \"entity_position\": 55, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.495, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1007\", \"component\": \"ASP\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2753, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1008\", \"component\": \"TYR\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0551, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:H:UNX:1107:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.0551, "minimum_chain_distance_angstrom": 3.0551, "minimum_core_distance_angstrom": 3.0551, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:H:UNX:1107:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"981\", \"component\": \"PRO\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5286, \"uniprot_position\": 981}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"ASP\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0766, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"PHE\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4106, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"PRO\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.969, \"uniprot_position\": 999}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1010\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7557, \"uniprot_position\": 1010}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"TYR\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4626, \"uniprot_position\": 960}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"981\", \"component\": \"PRO\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5286, \"uniprot_position\": 981}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"ASP\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0766, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"PHE\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4106, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"PRO\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.969, \"uniprot_position\": 999}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1010\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7557, \"uniprot_position\": 1010}]", "chain_id": "PDB:4RXJ:CHAIN:A:UP:Q9BZ95", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"TYR\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4626, \"uniprot_position\": 960}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"981\", \"component\": \"PRO\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5286, \"uniprot_position\": 981}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"ASP\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0766, \"uniprot_position\": 997}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"PHE\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4106, \"uniprot_position\": 998}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"PRO\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.969, \"uniprot_position\": 999}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1010\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7557, \"uniprot_position\": 1010}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1108", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 113, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:4RXJ:LIG:I:UNX:1108:.", "nearest_polypeptide_distance_angstrom": 3.0766, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4RXJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"TYR\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4626, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"981\", \"component\": \"PRO\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5286, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"997\", \"component\": \"ASP\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0766, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"998\", \"component\": \"PHE\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4106, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"999\", \"component\": \"PRO\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.969, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1010\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7557, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/4RXJ/original.cif", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4RXJ:LIG:I:UNX:1108:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.0766, "minimum_chain_distance_angstrom": 3.0766, "minimum_core_distance_angstrom": 3.0766, "multiple_contacting_mapped_chains": 0, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4RXJ:LIG:I:UNX:1108:.:SITE:UP:Q9BZ95:PWWP2:A", "source_coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8399, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"941\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7305, \"uniprot_position\": 941}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4062, \"uniprot_position\": 943}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1028\", \"component\": \"ILE\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7171, \"uniprot_position\": 1028}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8399, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"941\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7305, \"uniprot_position\": 941}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4062, \"uniprot_position\": 943}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1028\", \"component\": \"ILE\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7171, \"uniprot_position\": 1028}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8399, \"uniprot_position\": 940}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"941\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7305, \"uniprot_position\": 941}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4062, \"uniprot_position\": 943}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1103", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:E:UNX:1103:.", "nearest_polypeptide_distance_angstrom": 4.4062, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"940\", \"component\": \"TYR\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8399, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"941\", \"component\": \"PRO\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7305, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4062, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1028\", \"component\": \"ILE\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7171, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:E:UNX:1103:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 4.4062, "minimum_chain_distance_angstrom": 4.4062, "minimum_core_distance_angstrom": 4.4062, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:E:UNX:1103:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"966\", \"component\": \"ALA\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0736, \"uniprot_position\": 966}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"967\", \"component\": \"PRO\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6471, \"uniprot_position\": 967}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"972\", \"component\": \"LEU\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7882, \"uniprot_position\": 972}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"966\", \"component\": \"ALA\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0736, \"uniprot_position\": 966}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"967\", \"component\": \"PRO\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6471, \"uniprot_position\": 967}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"972\", \"component\": \"LEU\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7882, \"uniprot_position\": 972}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"966\", \"component\": \"ALA\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0736, \"uniprot_position\": 966}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"967\", \"component\": \"PRO\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6471, \"uniprot_position\": 967}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"972\", \"component\": \"LEU\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7882, \"uniprot_position\": 972}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1104", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:F:UNX:1104:.", "nearest_polypeptide_distance_angstrom": 2.6471, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"966\", \"component\": \"ALA\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0736, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"967\", \"component\": \"PRO\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6471, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9256, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"972\", \"component\": \"LEU\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7882, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:F:UNX:1104:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.6471, "minimum_chain_distance_angstrom": 2.6471, "minimum_core_distance_angstrom": 2.6471, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:F:UNX:1104:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1026\", \"component\": \"SER\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6033, \"uniprot_position\": 1026}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1026\", \"component\": \"SER\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6033, \"uniprot_position\": 1026}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1105", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:G:UNX:1105:.", "nearest_polypeptide_distance_angstrom": 3.6033, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1026\", \"component\": \"SER\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6033, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:G:UNX:1105:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 3.6033, "minimum_chain_distance_angstrom": 3.6033, "minimum_core_distance_angstrom": 15.4386, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:G:UNX:1105:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8313, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"969\", \"component\": \"LEU\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3592, \"uniprot_position\": 969}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8313, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"969\", \"component\": \"LEU\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3592, \"uniprot_position\": 969}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8313, \"uniprot_position\": 968}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"969\", \"component\": \"LEU\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3592, \"uniprot_position\": 969}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1106", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:H:UNX:1106:.", "nearest_polypeptide_distance_angstrom": 3.3592, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"968\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8313, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"969\", \"component\": \"LEU\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3592, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:H:UNX:1106:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.3592, "minimum_chain_distance_angstrom": 3.3592, "minimum_core_distance_angstrom": 3.3592, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:H:UNX:1106:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5591, \"uniprot_position\": 936}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6332, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0259, \"uniprot_position\": 938}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2786, \"uniprot_position\": 1001}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5591, \"uniprot_position\": 936}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6332, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0259, \"uniprot_position\": 938}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2786, \"uniprot_position\": 1001}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5591, \"uniprot_position\": 936}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6332, \"uniprot_position\": 937}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0259, \"uniprot_position\": 938}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2786, \"uniprot_position\": 1001}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1107", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:I:UNX:1107:.", "nearest_polypeptide_distance_angstrom": 3.0259, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5591, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6332, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0259, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2786, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:I:UNX:1107:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.0259, "minimum_chain_distance_angstrom": 3.0259, "minimum_core_distance_angstrom": 3.0259, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:I:UNX:1107:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"931\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6418, \"uniprot_position\": 931}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"946\", \"component\": \"LEU\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2624, \"uniprot_position\": 946}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4949, \"uniprot_position\": 960}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"961\", \"component\": \"GLY\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6871, \"uniprot_position\": 961}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"964\", \"component\": \"ILE\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.811, \"uniprot_position\": 964}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1042\", \"component\": \"HIS\", \"entity_position\": 118, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5646, \"uniprot_position\": 1042}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"931\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6418, \"uniprot_position\": 931}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"946\", \"component\": \"LEU\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2624, \"uniprot_position\": 946}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4949, \"uniprot_position\": 960}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"961\", \"component\": \"GLY\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6871, \"uniprot_position\": 961}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"964\", \"component\": \"ILE\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.811, \"uniprot_position\": 964}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1042\", \"component\": \"HIS\", \"entity_position\": 118, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5646, \"uniprot_position\": 1042}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1046\", \"component\": \"VAL\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3332, \"uniprot_position\": 1046}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"931\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6418, \"uniprot_position\": 931}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"946\", \"component\": \"LEU\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2624, \"uniprot_position\": 946}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4949, \"uniprot_position\": 960}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"961\", \"component\": \"GLY\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6871, \"uniprot_position\": 961}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"964\", \"component\": \"ILE\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.811, \"uniprot_position\": 964}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1108", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:J:UNX:1108:.", "nearest_polypeptide_distance_angstrom": 3.5646, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"931\", \"component\": \"LYS\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6418, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"946\", \"component\": \"LEU\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2624, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"960\", \"component\": \"ASN\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4949, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"961\", \"component\": \"GLY\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6871, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"964\", \"component\": \"ILE\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.811, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1042\", \"component\": \"HIS\", \"entity_position\": 118, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5646, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1046\", \"component\": \"VAL\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3332, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:J:UNX:1108:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.5646, "minimum_chain_distance_angstrom": 3.5646, "minimum_core_distance_angstrom": 3.6418, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:J:UNX:1108:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1027\", \"component\": \"SER\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7292, \"uniprot_position\": 1027}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1030\", \"component\": \"LYS\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": 1030}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9651, \"uniprot_position\": 1031}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1034\", \"component\": \"ILE\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": 1034}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1027\", \"component\": \"SER\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7292, \"uniprot_position\": 1027}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1030\", \"component\": \"LYS\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": 1030}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9651, \"uniprot_position\": 1031}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1034\", \"component\": \"ILE\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": 1034}]", "chain_id": "PDB:4Z02:CHAIN:A:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1109", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:K:UNX:1109:.", "nearest_polypeptide_distance_angstrom": 3.7279, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1027\", \"component\": \"SER\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7292, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1030\", \"component\": \"LYS\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9651, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1034\", \"component\": \"ILE\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7279, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:K:UNX:1109:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.7279, "minimum_chain_distance_angstrom": 3.7279, "minimum_core_distance_angstrom": 5.8386, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:K:UNX:1109:.:SITE:UP:O95696:PWWP1:A", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5646, \"uniprot_position\": 943}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": 1031}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5646, \"uniprot_position\": 943}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": 1031}]", "chain_id": "PDB:4Z02:CHAIN:B:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5646, \"uniprot_position\": 943}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1102", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:M:UNX:1102:.", "nearest_polypeptide_distance_angstrom": 4.5646, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"943\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5646, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1031\", \"component\": \"ALA\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:M:UNX:1102:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 4.5646, "minimum_chain_distance_angstrom": 4.5646, "minimum_core_distance_angstrom": 4.5646, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": 936}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9464, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6773, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1005\", \"component\": \"LYS\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 1005}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": 936}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9464, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6773, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1005\", \"component\": \"LYS\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 1005}]", "chain_id": "PDB:4Z02:CHAIN:B:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": 936}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9464, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6773, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1005\", \"component\": \"LYS\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": 1005}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1103", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:N:UNX:1103:.", "nearest_polypeptide_distance_angstrom": 3.4257, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"936\", \"component\": \"LYS\", \"entity_position\": 12, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9464, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6773, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1005\", \"component\": \"LYS\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8644, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:N:UNX:1103:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 3.4257, "minimum_chain_distance_angstrom": 3.4257, "minimum_core_distance_angstrom": 3.4257, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8041, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0381, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1908, \"uniprot_position\": 999}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1000\", \"component\": \"TRP\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": 1000}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9585, \"uniprot_position\": 1001}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8041, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0381, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1908, \"uniprot_position\": 999}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1000\", \"component\": \"TRP\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": 1000}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9585, \"uniprot_position\": 1001}]", "chain_id": "PDB:4Z02:CHAIN:B:UP:O95696", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8041, \"uniprot_position\": 937}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0381, \"uniprot_position\": 938}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1908, \"uniprot_position\": 999}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1000\", \"component\": \"TRP\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": 1000}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9585, \"uniprot_position\": 1001}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "gene": "BRD1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1104", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain-containing protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 125, \"uniprot_ids\": [\"O95696\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:4Z02:LIG:O:UNX:1104:.", "nearest_polypeptide_distance_angstrom": 3.8041, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4Z02", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"937\", \"component\": \"CYS\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8041, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"938\", \"component\": \"SER\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0381, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"999\", \"component\": \"GLN\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1908, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1000\", \"component\": \"TRP\", \"entity_position\": 76, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1001\", \"component\": \"LEU\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9585, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRD1__HUMAN__O95696/Co-Crystals/4Z02/original.cif", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4Z02:LIG:O:UNX:1104:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.8041, "minimum_chain_distance_angstrom": 3.8041, "minimum_core_distance_angstrom": 3.8041, "multiple_contacting_mapped_chains": 0, "pdb_id": "4Z02", "protein_id": "UP:O95696", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B", "source_coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8058, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1178\", \"component\": \"GLU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8358, \"uniprot_position\": 1178}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1179\", \"component\": \"GLY\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3361, \"uniprot_position\": 1179}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1180\", \"component\": \"ARG\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1180}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0821, \"uniprot_position\": 1184}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8058, \"uniprot_position\": 1097}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1178\", \"component\": \"GLU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8358, \"uniprot_position\": 1178}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1179\", \"component\": \"GLY\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3361, \"uniprot_position\": 1179}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1180\", \"component\": \"ARG\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1180}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0821, \"uniprot_position\": 1184}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8058, \"uniprot_position\": 1097}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1304", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:E:UNX:1304:.", "nearest_polypeptide_distance_angstrom": 3.6639, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1097\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8058, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1178\", \"component\": \"GLU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8358, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1179\", \"component\": \"GLY\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3361, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1180\", \"component\": \"ARG\", \"entity_position\": 103, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1184\", \"component\": \"ILE\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0821, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:E:UNX:1304:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 3.6639, "minimum_chain_distance_angstrom": 3.6639, "minimum_core_distance_angstrom": 3.8058, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:E:UNX:1304:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3138, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5249, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8774, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1187\", \"component\": \"SER\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3575, \"uniprot_position\": 1187}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3138, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5249, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8774, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1187\", \"component\": \"SER\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3575, \"uniprot_position\": 1187}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3138, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5249, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8774, \"uniprot_position\": 1150}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1305", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:F:UNX:1305:.", "nearest_polypeptide_distance_angstrom": 2.8774, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1099\", \"component\": \"TYR\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3138, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5249, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8774, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1187\", \"component\": \"SER\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3575, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:F:UNX:1305:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.8774, "minimum_chain_distance_angstrom": 2.8774, "minimum_core_distance_angstrom": 2.8774, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:F:UNX:1305:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.807, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7252, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6567, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 1152}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1194\", \"component\": \"ARG\", \"entity_position\": 117, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5143, \"uniprot_position\": 1194}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.807, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7252, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6567, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 1152}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1194\", \"component\": \"ARG\", \"entity_position\": 117, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5143, \"uniprot_position\": 1194}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.807, \"uniprot_position\": 1148}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7252, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6567, \"uniprot_position\": 1150}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": 1152}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1306", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:G:UNX:1306:.", "nearest_polypeptide_distance_angstrom": 2.7252, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1148\", \"component\": \"PHE\", \"entity_position\": 71, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.807, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7252, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1150\", \"component\": \"ASN\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6567, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2952, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1194\", \"component\": \"ARG\", \"entity_position\": 117, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5143, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:G:UNX:1306:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.7252, "minimum_chain_distance_angstrom": 2.7252, "minimum_core_distance_angstrom": 2.7252, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:G:UNX:1306:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9494, \"uniprot_position\": 1087}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0352, \"uniprot_position\": 1082}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1083\", \"component\": \"LEU\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7888, \"uniprot_position\": 1083}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"ASP\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6471, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9494, \"uniprot_position\": 1087}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9494, \"uniprot_position\": 1087}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1307", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:H:UNX:1307:.", "nearest_polypeptide_distance_angstrom": 2.9494, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0352, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1083\", \"component\": \"LEU\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7888, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"ASP\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6471, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"ASP\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9494, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:H:UNX:1307:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.9494, "minimum_chain_distance_angstrom": 2.9494, "minimum_core_distance_angstrom": 2.9494, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:H:UNX:1307:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9325, \"uniprot_position\": 1197}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1200\", \"component\": \"SER\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": 1200}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9325, \"uniprot_position\": 1197}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1200\", \"component\": \"SER\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": 1200}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1201\", \"component\": \"LYS\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0309, \"uniprot_position\": 1201}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1308", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:I:UNX:1308:.", "nearest_polypeptide_distance_angstrom": 3.0073, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9325, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1200\", \"component\": \"SER\", \"entity_position\": 123, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0073, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1201\", \"component\": \"LYS\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0309, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:I:UNX:1308:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.0073, "minimum_chain_distance_angstrom": 3.0073, "minimum_core_distance_angstrom": 8.2515, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:I:UNX:1308:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4446, \"uniprot_position\": 1197}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4446, \"uniprot_position\": 1197}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1201\", \"component\": \"LYS\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3499, \"uniprot_position\": 1201}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1309", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:J:UNX:1309:.", "nearest_polypeptide_distance_angstrom": 3.3499, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1197\", \"component\": \"GLN\", \"entity_position\": 120, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4446, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1201\", \"component\": \"LYS\", \"entity_position\": 124, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3499, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:J:UNX:1309:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 4.4446, "minimum_chain_distance_angstrom": 3.3499, "minimum_core_distance_angstrom": 6.8331, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:J:UNX:1309:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1120\", \"component\": \"ILE\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6844, \"uniprot_position\": 1120}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1121\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6667, \"uniprot_position\": 1121}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1122\", \"component\": \"VAL\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 1122}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1120\", \"component\": \"ILE\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6844, \"uniprot_position\": 1120}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1121\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6667, \"uniprot_position\": 1121}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1122\", \"component\": \"VAL\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 1122}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1120\", \"component\": \"ILE\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6844, \"uniprot_position\": 1120}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1121\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6667, \"uniprot_position\": 1121}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1122\", \"component\": \"VAL\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 1122}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1310", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:K:UNX:1310:.", "nearest_polypeptide_distance_angstrom": 3.0329, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1120\", \"component\": \"ILE\", \"entity_position\": 43, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6844, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1121\", \"component\": \"PRO\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6667, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1122\", \"component\": \"VAL\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:K:UNX:1310:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.0329, "minimum_chain_distance_angstrom": 3.0329, "minimum_core_distance_angstrom": 3.0329, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:K:UNX:1310:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1086\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9205, \"uniprot_position\": 1086}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1115\", \"component\": \"HIS\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1127, \"uniprot_position\": 1115}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1086\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9205, \"uniprot_position\": 1086}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1115\", \"component\": \"HIS\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1127, \"uniprot_position\": 1115}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1202\", \"component\": \"VAL\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3546, \"uniprot_position\": 1202}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1086\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9205, \"uniprot_position\": 1086}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1115\", \"component\": \"HIS\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1127, \"uniprot_position\": 1115}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1311", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:L:UNX:1311:.", "nearest_polypeptide_distance_angstrom": 3.1127, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1086\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9205, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1115\", \"component\": \"HIS\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1127, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1202\", \"component\": \"VAL\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3546, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:L:UNX:1311:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 3.1127, "minimum_chain_distance_angstrom": 3.1127, "minimum_core_distance_angstrom": 3.1127, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:L:UNX:1311:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7531, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7958, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5398, \"uniprot_position\": 1153}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7531, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7958, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5398, \"uniprot_position\": 1153}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": 1096}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7531, \"uniprot_position\": 1149}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7958, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5398, \"uniprot_position\": 1153}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1312", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:M:UNX:1312:.", "nearest_polypeptide_distance_angstrom": 3.5398, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1096\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1149\", \"component\": \"ASP\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7531, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7958, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1153\", \"component\": \"THR\", \"entity_position\": 76, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5398, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:M:UNX:1312:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 3.5398, "minimum_chain_distance_angstrom": 3.5398, "minimum_core_distance_angstrom": 3.5398, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:M:UNX:1312:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1106\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6515, \"uniprot_position\": 1106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1107\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.281, \"uniprot_position\": 1107}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1106\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6515, \"uniprot_position\": 1106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1107\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.281, \"uniprot_position\": 1107}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1106\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6515, \"uniprot_position\": 1106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1107\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.281, \"uniprot_position\": 1107}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1313", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:N:UNX:1313:.", "nearest_polypeptide_distance_angstrom": 3.6515, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1106\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6515, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1107\", \"component\": \"LYS\", \"entity_position\": 30, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.281, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:N:UNX:1313:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 3.6515, "minimum_chain_distance_angstrom": 3.6515, "minimum_core_distance_angstrom": 3.6515, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:N:UNX:1313:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1111\", \"component\": \"GLU\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0982, \"uniprot_position\": 1111}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1111\", \"component\": \"GLU\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0982, \"uniprot_position\": 1111}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1111\", \"component\": \"GLU\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0982, \"uniprot_position\": 1111}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1314", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:O:UNX:1314:.", "nearest_polypeptide_distance_angstrom": 4.0982, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1111\", \"component\": \"GLU\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0982, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:O:UNX:1314:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 4.0982, "minimum_chain_distance_angstrom": 4.0982, "minimum_core_distance_angstrom": 4.0982, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:O:UNX:1314:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1271, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7889, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8869, \"uniprot_position\": 1152}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7281, \"uniprot_position\": 1154}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1271, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7889, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8869, \"uniprot_position\": 1152}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7281, \"uniprot_position\": 1154}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1271, \"uniprot_position\": 1146}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7889, \"uniprot_position\": 1151}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8869, \"uniprot_position\": 1152}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7281, \"uniprot_position\": 1154}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1315", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:P:UNX:1315:.", "nearest_polypeptide_distance_angstrom": 2.8869, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"LEU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1271, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1151\", \"component\": \"LYS\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7889, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1152\", \"component\": \"ARG\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8869, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1154\", \"component\": \"TRP\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7281, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:P:UNX:1315:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 2.8869, "minimum_chain_distance_angstrom": 2.8869, "minimum_core_distance_angstrom": 2.8869, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:P:UNX:1315:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1181\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2078, \"uniprot_position\": 1181}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1182\", \"component\": \"SER\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5742, \"uniprot_position\": 1182}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1181\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2078, \"uniprot_position\": 1181}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1182\", \"component\": \"SER\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5742, \"uniprot_position\": 1182}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1316", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:Q:UNX:1316:.", "nearest_polypeptide_distance_angstrom": 3.5742, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 0.5, "occupancy_min": 0.5, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1181\", \"component\": \"LYS\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2078, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1182\", \"component\": \"SER\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5742, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:Q:UNX:1316:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 3.5742, "minimum_chain_distance_angstrom": 3.5742, "minimum_core_distance_angstrom": 12.6745, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:Q:UNX:1316:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2727, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1186, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.928, \"uniprot_position\": 1159}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6846, \"uniprot_position\": 1081}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7174, \"uniprot_position\": 1082}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2727, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1186, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.928, \"uniprot_position\": 1159}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2727, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1186, \"uniprot_position\": 1143}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.928, \"uniprot_position\": 1159}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1317", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:R:UNX:1317:.", "nearest_polypeptide_distance_angstrom": 3.1186, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6846, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7174, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1141\", \"component\": \"HIS\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2727, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1143\", \"component\": \"TYR\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1186, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1159\", \"component\": \"ARG\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.928, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:R:UNX:1317:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 3.1186, "minimum_chain_distance_angstrom": 3.1186, "minimum_core_distance_angstrom": 3.1186, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:R:UNX:1317:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1079\", \"component\": \"GLU\", \"entity_position\": 2, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": 1079}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1080\", \"component\": \"ASP\", \"entity_position\": 3, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8231, \"uniprot_position\": 1080}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3887, \"uniprot_position\": 1081}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2471, \"uniprot_position\": 1082}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1083\", \"component\": \"LEU\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8145, \"uniprot_position\": 1083}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"ASP\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4869, \"uniprot_position\": 1084}]", "chain_id": "PDB:5C6S:CHAIN:A:UP:P55201", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "gene": "BRPF1", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1318", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Peregrin\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P55201\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:5C6S:LIG:S:UNX:1318:.", "nearest_polypeptide_distance_angstrom": 2.3887, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5C6S", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1079\", \"component\": \"GLU\", \"entity_position\": 2, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1484, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1080\", \"component\": \"ASP\", \"entity_position\": 3, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8231, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1081\", \"component\": \"SER\", \"entity_position\": 4, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3887, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1082\", \"component\": \"PRO\", \"entity_position\": 5, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2471, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1083\", \"component\": \"LEU\", \"entity_position\": 6, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8145, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"ASP\", \"entity_position\": 7, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4869, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF1__HUMAN__P55201/Co-Crystals/5C6S/original.cif", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5C6S:LIG:S:UNX:1318:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": 6.6015, "minimum_chain_distance_angstrom": 2.3887, "minimum_core_distance_angstrom": 6.6015, "multiple_contacting_mapped_chains": 0, "pdb_id": "5C6S", "protein_id": "UP:P55201", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5C6S:LIG:S:UNX:1318:.:SITE:UP:P55201:PWWP1:A", "source_coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4901, \"uniprot_position\": 286}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4039, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8956, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7011, \"uniprot_position\": 289}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4901, \"uniprot_position\": 286}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4039, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8956, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7011, \"uniprot_position\": 289}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4901, \"uniprot_position\": 286}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "401", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:AA:UNX:401:.", "nearest_polypeptide_distance_angstrom": 2.8956, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4901, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4039, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8956, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7011, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:AA:UNX:401:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": 2.8956, "minimum_chain_distance_angstrom": 2.8956, "minimum_core_distance_angstrom": 3.4901, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"343\", \"component\": \"LYS\", \"entity_position\": 134, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.184, \"uniprot_position\": 343}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 137, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3641, \"uniprot_position\": 346}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:BA:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.184, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"343\", \"component\": \"LYS\", \"entity_position\": 134, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.184, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 137, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3641, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:BA:UNX:402:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": 8.1555, "minimum_chain_distance_angstrom": 3.184, "minimum_core_distance_angstrom": 9.6473, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:BA:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 286}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.983, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5917, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7423, \"uniprot_position\": 330}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 286}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.983, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5917, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7423, \"uniprot_position\": 330}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 286}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "403", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:CA:UNX:403:.", "nearest_polypeptide_distance_angstrom": 2.7423, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.983, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5917, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7423, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:CA:UNX:403:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": 2.7423, "minimum_chain_distance_angstrom": 2.7423, "minimum_core_distance_angstrom": 3.7411, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5929, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5929, \"uniprot_position\": 275}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5929, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "nearest_polypeptide_distance_angstrom": 3.2521, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5929, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2521, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8674, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 3.5929, "minimum_chain_distance_angstrom": 3.5929, "minimum_core_distance_angstrom": 3.5929, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2521, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8674, \"uniprot_position\": 274}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2521, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8674, \"uniprot_position\": 274}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2521, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8674, \"uniprot_position\": 274}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "nearest_polypeptide_distance_angstrom": 3.2521, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5929, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2521, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8674, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 3.2521, "minimum_chain_distance_angstrom": 3.2521, "minimum_core_distance_angstrom": 3.2521, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7692, \"uniprot_position\": 341}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9653, \"uniprot_position\": 345}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"348\", \"component\": \"TYR\", \"entity_position\": 139, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6493, \"uniprot_position\": 348}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "405", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:EA:UNX:405:.", "nearest_polypeptide_distance_angstrom": 3.7692, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7692, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9653, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"348\", \"component\": \"TYR\", \"entity_position\": 139, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6493, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:EA:UNX:405:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": 7.1321, "minimum_chain_distance_angstrom": 3.7692, "minimum_core_distance_angstrom": 5.079, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:EA:UNX:405:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.93, \"uniprot_position\": 294}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0466, \"uniprot_position\": 311}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.93, \"uniprot_position\": 294}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0466, \"uniprot_position\": 311}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "406", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:FA:UNX:406:.", "nearest_polypeptide_distance_angstrom": 3.0466, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.93, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0466, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:FA:UNX:406:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": 3.0466, "minimum_chain_distance_angstrom": 3.0466, "minimum_core_distance_angstrom": 9.7852, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2024, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.247, \"uniprot_position\": 253}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1052, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1379, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2024, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.247, \"uniprot_position\": 253}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1052, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1379, \"uniprot_position\": 275}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2024, \"uniprot_position\": 251}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.247, \"uniprot_position\": 253}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1052, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1379, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "nearest_polypeptide_distance_angstrom": 3.1052, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2024, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.247, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1052, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1379, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4702, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3918, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 3.1052, "minimum_chain_distance_angstrom": 3.1052, "minimum_core_distance_angstrom": 3.1052, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4702, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3918, \"uniprot_position\": 231}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4702, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3918, \"uniprot_position\": 231}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4702, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3918, \"uniprot_position\": 231}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "nearest_polypeptide_distance_angstrom": 3.1052, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2024, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.247, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1052, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1379, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4702, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3918, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 3.4702, "minimum_chain_distance_angstrom": 3.4702, "minimum_core_distance_angstrom": 3.4702, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5161, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4642, \"uniprot_position\": 231}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5161, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4642, \"uniprot_position\": 231}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5161, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4642, \"uniprot_position\": 231}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "407", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "nearest_polypeptide_distance_angstrom": 3.1659, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5161, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4642, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1659, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1838, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": 3.5161, "minimum_chain_distance_angstrom": 3.5161, "minimum_core_distance_angstrom": 3.5161, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1659, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1838, \"uniprot_position\": 261}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9621, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1659, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1838, \"uniprot_position\": 261}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9621, \"uniprot_position\": 275}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1659, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1838, \"uniprot_position\": 261}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9621, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "407", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "nearest_polypeptide_distance_angstrom": 3.1659, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5161, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4642, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1659, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1838, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": 3.1659, "minimum_chain_distance_angstrom": 3.1659, "minimum_core_distance_angstrom": 3.1659, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5093, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0226, \"uniprot_position\": 231}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5093, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0226, \"uniprot_position\": 231}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5093, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0226, \"uniprot_position\": 231}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.0226, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5093, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0226, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9184, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.0226, "minimum_chain_distance_angstrom": 3.0226, "minimum_core_distance_angstrom": 3.0226, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9184, \"uniprot_position\": 253}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9184, \"uniprot_position\": 253}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9184, \"uniprot_position\": 253}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.0226, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5093, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7887, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0226, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9184, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.9184, "minimum_chain_distance_angstrom": 3.9184, "minimum_core_distance_angstrom": 3.9184, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6961, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"255\", \"component\": \"GLN\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9143, \"uniprot_position\": 255}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6961, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"255\", \"component\": \"GLN\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9143, \"uniprot_position\": 255}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6961, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9414, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"255\", \"component\": \"GLN\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9143, \"uniprot_position\": 255}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "408", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:HA:UNX:408:.", "nearest_polypeptide_distance_angstrom": 2.9414, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6961, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9414, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"255\", \"component\": \"GLN\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9143, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:HA:UNX:408:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": 2.9414, "minimum_chain_distance_angstrom": 2.9414, "minimum_core_distance_angstrom": 2.9414, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8511, \"uniprot_position\": 323}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8511, \"uniprot_position\": 323}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "403", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:I:UNX:403:.", "nearest_polypeptide_distance_angstrom": 2.8511, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8511, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:I:UNX:403:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 2.8511, "minimum_chain_distance_angstrom": 2.8511, "minimum_core_distance_angstrom": 12.8029, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:I:UNX:403:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"336\", \"component\": \"SER\", \"entity_position\": 127, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2814, \"uniprot_position\": 336}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "409", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:IA:UNX:409:.", "nearest_polypeptide_distance_angstrom": 4.2814, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"336\", \"component\": \"SER\", \"entity_position\": 127, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2814, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:IA:UNX:409:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 9.3021, "minimum_chain_distance_angstrom": 4.2814, "minimum_core_distance_angstrom": 9.9265, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:IA:UNX:409:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8911, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8294, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8357, \"uniprot_position\": 321}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4398, \"uniprot_position\": 323}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.454, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8911, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8294, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8357, \"uniprot_position\": 321}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4398, \"uniprot_position\": 323}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.454, \"uniprot_position\": 324}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:J:UNX:404:.", "nearest_polypeptide_distance_angstrom": 2.8294, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8911, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8294, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8357, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4398, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.454, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:J:UNX:404:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 2.8294, "minimum_chain_distance_angstrom": 2.8294, "minimum_core_distance_angstrom": 8.2229, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2112, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6798, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5289, \"uniprot_position\": 251}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2112, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6798, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5289, \"uniprot_position\": 251}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2112, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6798, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5289, \"uniprot_position\": 251}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "410", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:JA:UNX:410:.", "nearest_polypeptide_distance_angstrom": 2.6798, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2112, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6798, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5289, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:JA:UNX:410:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": 2.6798, "minimum_chain_distance_angstrom": 2.6798, "minimum_core_distance_angstrom": 2.6798, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7326, \"uniprot_position\": 286}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5226, \"uniprot_position\": 287}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8781, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9397, \"uniprot_position\": 289}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7326, \"uniprot_position\": 286}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5226, \"uniprot_position\": 287}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8781, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9397, \"uniprot_position\": 289}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7326, \"uniprot_position\": 286}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "405", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:K:UNX:405:.", "nearest_polypeptide_distance_angstrom": 2.8781, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7326, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5226, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8781, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9397, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:K:UNX:405:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 2.8781, "minimum_chain_distance_angstrom": 2.8781, "minimum_core_distance_angstrom": 3.7326, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:K:UNX:405:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9618, \"uniprot_position\": 317}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9618, \"uniprot_position\": 317}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 2, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "411", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "nearest_polypeptide_distance_angstrom": 2.8518, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9618, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5298, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8518, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3763, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": 4.9618, "minimum_chain_distance_angstrom": 4.9618, "minimum_core_distance_angstrom": 5.309, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5298, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8518, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3763, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": 251}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5298, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8518, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3763, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": 251}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5298, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8518, \"uniprot_position\": 248}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3763, \"uniprot_position\": 250}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": 251}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "411", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "nearest_polypeptide_distance_angstrom": 2.8518, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9618, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5298, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8518, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3763, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": 2.8518, "minimum_chain_distance_angstrom": 2.8518, "minimum_core_distance_angstrom": 2.8518, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0744, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5513, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"295\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9703, \"uniprot_position\": 295}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0366, \"uniprot_position\": 311}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0744, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5513, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"295\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9703, \"uniprot_position\": 295}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0366, \"uniprot_position\": 311}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "406", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:L:UNX:406:.", "nearest_polypeptide_distance_angstrom": 2.9703, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0744, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5513, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"295\", \"component\": \"GLN\", \"entity_position\": 86, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9703, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0366, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:L:UNX:406:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 2.9703, "minimum_chain_distance_angstrom": 2.9703, "minimum_core_distance_angstrom": 8.6481, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"338\", \"component\": \"GLU\", \"entity_position\": 129, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6525, \"uniprot_position\": 338}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"339\", \"component\": \"GLU\", \"entity_position\": 130, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9279, \"uniprot_position\": 339}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9565, \"uniprot_position\": 341}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"342\", \"component\": \"ALA\", \"entity_position\": 133, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8785, \"uniprot_position\": 342}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "412", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:LA:UNX:412:.", "nearest_polypeptide_distance_angstrom": 2.6525, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"338\", \"component\": \"GLU\", \"entity_position\": 129, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6525, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"339\", \"component\": \"GLU\", \"entity_position\": 130, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9279, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9565, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"342\", \"component\": \"ALA\", \"entity_position\": 133, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8785, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:LA:UNX:412:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": 8.8081, "minimum_chain_distance_angstrom": 2.6525, "minimum_core_distance_angstrom": 8.3213, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:LA:UNX:412:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8113, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7354, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9312, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3893, \"uniprot_position\": 321}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4325, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8113, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7354, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9312, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3893, \"uniprot_position\": 321}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4325, \"uniprot_position\": 324}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8113, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7354, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9312, \"uniprot_position\": 270}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "407", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:M:UNX:407:.", "nearest_polypeptide_distance_angstrom": 2.8113, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8113, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7354, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9312, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3893, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4325, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:M:UNX:407:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 2.8113, "minimum_chain_distance_angstrom": 2.8113, "minimum_core_distance_angstrom": 2.8113, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:M:UNX:407:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2714, \"uniprot_position\": 315}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.463, \"uniprot_position\": 316}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.835, \"uniprot_position\": 317}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8423, \"uniprot_position\": 318}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8774, \"uniprot_position\": 319}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2714, \"uniprot_position\": 315}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.463, \"uniprot_position\": 316}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.835, \"uniprot_position\": 317}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8423, \"uniprot_position\": 318}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8774, \"uniprot_position\": 319}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[\"A\"]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "413", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:MA:UNX:413:.", "nearest_polypeptide_distance_angstrom": 2.835, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2714, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.463, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.835, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8423, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8774, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:MA:UNX:413:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": 2.835, "minimum_chain_distance_angstrom": 2.835, "minimum_core_distance_angstrom": 8.9375, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1557, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4987, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0923, \"uniprot_position\": 231}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.116, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0689, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8346, \"uniprot_position\": 309}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7442, \"uniprot_position\": 310}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1557, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4987, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0923, \"uniprot_position\": 231}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.116, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0689, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8346, \"uniprot_position\": 309}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7442, \"uniprot_position\": 310}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1557, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4987, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0923, \"uniprot_position\": 231}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.116, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0689, \"uniprot_position\": 233}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "408", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:N:UNX:408:.", "nearest_polypeptide_distance_angstrom": 3.116, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1557, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4987, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0923, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.116, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0689, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8346, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7442, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:N:UNX:408:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 3.116, "minimum_chain_distance_angstrom": 3.116, "minimum_core_distance_angstrom": 3.116, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:N:UNX:408:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0659, \"uniprot_position\": 327}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2376, \"uniprot_position\": 331}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0659, \"uniprot_position\": 327}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2376, \"uniprot_position\": 331}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "414", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:NA:UNX:414:.", "nearest_polypeptide_distance_angstrom": 3.2376, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0659, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2376, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:NA:UNX:414:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": 3.2376, "minimum_chain_distance_angstrom": 3.2376, "minimum_core_distance_angstrom": 9.228, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"LYS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": 299}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9664, \"uniprot_position\": 300}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"301\", \"component\": \"ALA\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": 301}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"302\", \"component\": \"PRO\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1154, \"uniprot_position\": 302}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"307\", \"component\": \"LYS\", \"entity_position\": 98, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2881, \"uniprot_position\": 307}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"LYS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": 299}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9664, \"uniprot_position\": 300}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"301\", \"component\": \"ALA\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": 301}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"302\", \"component\": \"PRO\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1154, \"uniprot_position\": 302}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"307\", \"component\": \"LYS\", \"entity_position\": 98, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2881, \"uniprot_position\": 307}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "409", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:O:UNX:409:.", "nearest_polypeptide_distance_angstrom": 3.2352, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"LYS\", \"entity_position\": 90, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3045, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9664, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"301\", \"component\": \"ALA\", \"entity_position\": 92, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2352, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"302\", \"component\": \"PRO\", \"entity_position\": 93, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1154, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"307\", \"component\": \"LYS\", \"entity_position\": 98, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2881, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:O:UNX:409:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.2352, "minimum_chain_distance_angstrom": 3.2352, "minimum_core_distance_angstrom": 14.185, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7936, \"uniprot_position\": 222}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7745, \"uniprot_position\": 341}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7936, \"uniprot_position\": 222}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "415", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:OA:UNX:415:.", "nearest_polypeptide_distance_angstrom": 2.7745, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7936, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7745, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:OA:UNX:415:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": 7.279, "minimum_chain_distance_angstrom": 2.7745, "minimum_core_distance_angstrom": 4.7936, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:OA:UNX:415:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9212, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4238, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0751, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8768, \"uniprot_position\": 309}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8972, \"uniprot_position\": 310}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9212, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4238, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0751, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8768, \"uniprot_position\": 309}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8972, \"uniprot_position\": 310}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9212, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 232}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4238, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0751, \"uniprot_position\": 234}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "410", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:P:UNX:410:.", "nearest_polypeptide_distance_angstrom": 3.4238, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9212, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4238, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0751, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"309\", \"component\": \"LYS\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8768, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8972, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:P:UNX:410:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 3.4238, "minimum_chain_distance_angstrom": 3.4238, "minimum_core_distance_angstrom": 3.4238, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:P:UNX:410:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9505, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5668, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8802, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5783, \"uniprot_position\": 271}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9505, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5668, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8802, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5783, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"347\", \"component\": \"LEU\", \"entity_position\": 138, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.622, \"uniprot_position\": 347}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9505, \"uniprot_position\": 268}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5668, \"uniprot_position\": 269}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8802, \"uniprot_position\": 270}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5783, \"uniprot_position\": 271}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "416", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:PA:UNX:416:.", "nearest_polypeptide_distance_angstrom": 2.8802, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9505, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5668, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8802, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5783, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"347\", \"component\": \"LEU\", \"entity_position\": 138, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.622, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:PA:UNX:416:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": 2.8802, "minimum_chain_distance_angstrom": 2.8802, "minimum_core_distance_angstrom": 2.8802, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9665, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4067, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8077, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9703, \"uniprot_position\": 271}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9665, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4067, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8077, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9703, \"uniprot_position\": 271}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9665, \"uniprot_position\": 268}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4067, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8077, \"uniprot_position\": 270}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9703, \"uniprot_position\": 271}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "411", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:Q:UNX:411:.", "nearest_polypeptide_distance_angstrom": 2.8077, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9665, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4067, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8077, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9703, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:Q:UNX:411:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 2.8077, "minimum_chain_distance_angstrom": 2.8077, "minimum_core_distance_angstrom": 2.8077, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8039, \"uniprot_position\": 323}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": 324}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"326\", \"component\": \"ILE\", \"entity_position\": 117, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7062, \"uniprot_position\": 326}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4706, \"uniprot_position\": 327}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.738, \"uniprot_position\": 330}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8039, \"uniprot_position\": 323}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": 324}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"326\", \"component\": \"ILE\", \"entity_position\": 117, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7062, \"uniprot_position\": 326}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4706, \"uniprot_position\": 327}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.738, \"uniprot_position\": 330}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "417", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:QA:UNX:417:.", "nearest_polypeptide_distance_angstrom": 2.8039, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8039, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MSE\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"326\", \"component\": \"ILE\", \"entity_position\": 117, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7062, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4706, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.738, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:QA:UNX:417:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": 2.8039, "minimum_chain_distance_angstrom": 2.8039, "minimum_core_distance_angstrom": 8.2189, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.415, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8686, \"uniprot_position\": 225}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.415, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8686, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6669, \"uniprot_position\": 340}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.415, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8686, \"uniprot_position\": 225}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "412", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:R:UNX:412:.", "nearest_polypeptide_distance_angstrom": 2.8686, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.415, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6692, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8686, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6669, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:R:UNX:412:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 2.8686, "minimum_chain_distance_angstrom": 2.8686, "minimum_core_distance_angstrom": 2.8686, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:R:UNX:412:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"338\", \"component\": \"GLU\", \"entity_position\": 129, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7621, \"uniprot_position\": 338}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5091, \"uniprot_position\": 341}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"342\", \"component\": \"ALA\", \"entity_position\": 133, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5459, \"uniprot_position\": 342}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3972, \"uniprot_position\": 345}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "418", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "RA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:RA:UNX:418:.", "nearest_polypeptide_distance_angstrom": 3.5091, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"338\", \"component\": \"GLU\", \"entity_position\": 129, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7621, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"341\", \"component\": \"LYS\", \"entity_position\": 132, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5091, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"342\", \"component\": \"ALA\", \"entity_position\": 133, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5459, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3972, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:RA:UNX:418:.", "ligand_label_asym_id": "RA", "minimum_Pfam_distance_angstrom": 8.3309, "minimum_chain_distance_angstrom": 3.5091, "minimum_core_distance_angstrom": 7.5934, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:RA:UNX:418:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0887, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6658, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": 226}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6148, \"uniprot_position\": 283}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": 284}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9135, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0887, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6658, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": 226}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6148, \"uniprot_position\": 283}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": 284}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0887, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6658, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": 226}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6148, \"uniprot_position\": 283}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": 284}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "413", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:S:UNX:413:.", "nearest_polypeptide_distance_angstrom": 2.6658, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9135, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0887, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6658, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6148, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:S:UNX:413:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": 2.6658, "minimum_chain_distance_angstrom": 2.6658, "minimum_core_distance_angstrom": 2.6658, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:S:UNX:413:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9917, \"uniprot_position\": 310}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5062, \"uniprot_position\": 311}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6814, \"uniprot_position\": 312}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9917, \"uniprot_position\": 310}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5062, \"uniprot_position\": 311}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6814, \"uniprot_position\": 312}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "419", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:SA:UNX:419:.", "nearest_polypeptide_distance_angstrom": 2.9917, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9917, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"311\", \"component\": \"LEU\", \"entity_position\": 102, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5062, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"312\", \"component\": \"LYS\", \"entity_position\": 103, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6814, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:SA:UNX:419:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 2.9917, "minimum_chain_distance_angstrom": 2.9917, "minimum_core_distance_angstrom": 10.8072, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2162, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8229, \"uniprot_position\": 283}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5332, \"uniprot_position\": 219}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9454, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2162, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8229, \"uniprot_position\": 283}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2162, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8229, \"uniprot_position\": 283}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "414", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:T:UNX:414:.", "nearest_polypeptide_distance_angstrom": 3.8229, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5332, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9454, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2162, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8229, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:T:UNX:414:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 3.8229, "minimum_chain_distance_angstrom": 3.8229, "minimum_core_distance_angstrom": 3.8229, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:T:UNX:414:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"TYR\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9538, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6022, \"uniprot_position\": 250}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"218\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1538, \"uniprot_position\": 218}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"TYR\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9538, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6022, \"uniprot_position\": 250}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"TYR\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9538, \"uniprot_position\": 249}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6022, \"uniprot_position\": 250}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "415", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:U:UNX:415:.", "nearest_polypeptide_distance_angstrom": 2.9538, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"218\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1538, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"249\", \"component\": \"TYR\", \"entity_position\": 40, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9538, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6022, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:U:UNX:415:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": 2.9538, "minimum_chain_distance_angstrom": 2.9538, "minimum_core_distance_angstrom": 2.9538, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4645, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1783, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5556, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5854, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0358, \"uniprot_position\": 279}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4645, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1783, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5556, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5854, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0358, \"uniprot_position\": 279}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4645, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1783, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5556, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5854, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0358, \"uniprot_position\": 279}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "416", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:V:UNX:416:.", "nearest_polypeptide_distance_angstrom": 3.0358, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4645, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1783, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5556, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5854, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0358, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:V:UNX:416:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 3.0358, "minimum_chain_distance_angstrom": 3.0358, "minimum_core_distance_angstrom": 3.0358, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3544, \"uniprot_position\": 253}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3544, \"uniprot_position\": 253}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3544, \"uniprot_position\": 253}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "417", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "nearest_polypeptide_distance_angstrom": 3.0492, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3544, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4799, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8285, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 3.3544, "minimum_chain_distance_angstrom": 3.3544, "minimum_core_distance_angstrom": 3.3544, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4799, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8285, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": 231}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4799, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8285, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": 231}]", "chain_id": "PDB:5VC8:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4799, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8285, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": 231}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "417", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "nearest_polypeptide_distance_angstrom": 3.0492, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"253\", \"component\": \"LYS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3544, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4799, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8285, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"231\", \"component\": \"SER\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 3.0492, "minimum_chain_distance_angstrom": 3.0492, "minimum_core_distance_angstrom": 3.0492, "multiple_contacting_mapped_chains": 1, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0382, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9952, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.761, \"uniprot_position\": 275}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"ILE\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8492, \"uniprot_position\": 276}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0382, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9952, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.761, \"uniprot_position\": 275}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"ILE\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8492, \"uniprot_position\": 276}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0382, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9952, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.761, \"uniprot_position\": 275}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"ILE\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8492, \"uniprot_position\": 276}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "418", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:X:UNX:418:.", "nearest_polypeptide_distance_angstrom": 2.761, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0382, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9952, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.761, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"276\", \"component\": \"ILE\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8492, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:X:UNX:418:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 2.761, "minimum_chain_distance_angstrom": 2.761, "minimum_core_distance_angstrom": 2.761, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:X:UNX:418:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4925, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.826, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3955, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9296, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4935, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.802, \"uniprot_position\": 321}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4925, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.826, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3955, \"uniprot_position\": 318}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9296, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4935, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.802, \"uniprot_position\": 321}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "419", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:Y:UNX:419:.", "nearest_polypeptide_distance_angstrom": 2.802, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4925, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.826, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3955, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9296, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.802, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:Y:UNX:419:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": 2.802, "minimum_chain_distance_angstrom": 2.802, "minimum_core_distance_angstrom": 6.2092, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7623, \"uniprot_position\": 224}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3356, \"uniprot_position\": 219}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4429, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"ASN\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9082, \"uniprot_position\": 221}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7623, \"uniprot_position\": 224}]", "chain_id": "PDB:5VC8:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7623, \"uniprot_position\": 224}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "420", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:5VC8:LIG:Z:UNX:420:.", "nearest_polypeptide_distance_angstrom": 2.7623, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5VC8", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3356, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4429, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"ASN\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9082, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7623, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Complexes/5VC8/original.cif", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5VC8:LIG:Z:UNX:420:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": 2.7623, "minimum_chain_distance_angstrom": 2.7623, "minimum_core_distance_angstrom": 2.7623, "multiple_contacting_mapped_chains": 0, "pdb_id": "5VC8", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:5VC8:LIG:Z:UNX:420:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"167\", \"component\": \"SER\", \"entity_position\": 99, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7471, \"uniprot_position\": 167}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"168\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3521, \"uniprot_position\": 168}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"LYS\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4659, \"uniprot_position\": 169}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"167\", \"component\": \"SER\", \"entity_position\": 99, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7471, \"uniprot_position\": 167}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"168\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3521, \"uniprot_position\": 168}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"LYS\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4659, \"uniprot_position\": 169}]", "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "gene": "MSH6", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "201", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:6OQM:LIG:B:UNX:201:.", "nearest_polypeptide_distance_angstrom": 3.3521, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6OQM", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"167\", \"component\": \"SER\", \"entity_position\": 99, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7471, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"168\", \"component\": \"ALA\", \"entity_position\": 100, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3521, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"LYS\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4659, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6OQM:LIG:B:UNX:201:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 3.3521, "minimum_chain_distance_angstrom": 3.3521, "minimum_core_distance_angstrom": 7.2426, "multiple_contacting_mapped_chains": 0, "pdb_id": "6OQM", "protein_id": "UP:P52701", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6OQM:LIG:B:UNX:201:.:SITE:UP:P52701:PWWP1:A", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"112\", \"component\": \"ASN\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9731, \"uniprot_position\": 112}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7729, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"117\", \"component\": \"GLY\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7172, \"uniprot_position\": 117}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"118\", \"component\": \"THR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3418, \"uniprot_position\": 118}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"119\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9099, \"uniprot_position\": 119}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 121}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"112\", \"component\": \"ASN\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9731, \"uniprot_position\": 112}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7729, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"117\", \"component\": \"GLY\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7172, \"uniprot_position\": 117}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"118\", \"component\": \"THR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3418, \"uniprot_position\": 118}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"119\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9099, \"uniprot_position\": 119}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 121}]", "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"112\", \"component\": \"ASN\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9731, \"uniprot_position\": 112}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7729, \"uniprot_position\": 116}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"117\", \"component\": \"GLY\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7172, \"uniprot_position\": 117}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"118\", \"component\": \"THR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3418, \"uniprot_position\": 118}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"119\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9099, \"uniprot_position\": 119}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": 121}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "gene": "MSH6", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "207", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:6OQM:LIG:H:UNX:207:.", "nearest_polypeptide_distance_angstrom": 3.3418, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6OQM", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"112\", \"component\": \"ASN\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9731, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"116\", \"component\": \"ASP\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7729, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"117\", \"component\": \"GLY\", \"entity_position\": 49, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7172, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"118\", \"component\": \"THR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3418, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"119\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9099, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6OQM:LIG:H:UNX:207:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.3418, "minimum_chain_distance_angstrom": 3.3418, "minimum_core_distance_angstrom": 3.3418, "multiple_contacting_mapped_chains": 0, "pdb_id": "6OQM", "protein_id": "UP:P52701", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6OQM:LIG:H:UNX:207:.:SITE:UP:P52701:PWWP1:A", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0362, \"uniprot_position\": 121}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0362, \"uniprot_position\": 121}]", "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0362, \"uniprot_position\": 121}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "gene": "MSH6", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "208", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:6OQM:LIG:I:UNX:208:.", "nearest_polypeptide_distance_angstrom": 4.0362, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6OQM", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"121\", \"component\": \"ARG\", \"entity_position\": 53, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0362, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6OQM:LIG:I:UNX:208:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 4.0362, "minimum_chain_distance_angstrom": 4.0362, "minimum_core_distance_angstrom": 4.0362, "multiple_contacting_mapped_chains": 0, "pdb_id": "6OQM", "protein_id": "UP:P52701", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6OQM:LIG:I:UNX:208:.:SITE:UP:P52701:PWWP1:A", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4593, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1289, \"uniprot_position\": 100}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2764, \"uniprot_position\": 101}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"LEU\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3362, \"uniprot_position\": 147}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4593, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1289, \"uniprot_position\": 100}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2764, \"uniprot_position\": 101}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"LEU\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3362, \"uniprot_position\": 147}]", "chain_id": "PDB:6OQM:CHAIN:A:UP:P52701", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4593, \"uniprot_position\": 99}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1289, \"uniprot_position\": 100}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2764, \"uniprot_position\": 101}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"LEU\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3362, \"uniprot_position\": 147}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "gene": "MSH6", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "209", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA mismatch repair protein Msh6\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 130, \"uniprot_ids\": [\"P52701\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:6OQM:LIG:J:UNX:209:.", "nearest_polypeptide_distance_angstrom": 3.2764, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6OQM", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"99\", \"component\": \"LYS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4593, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"100\", \"component\": \"MET\", \"entity_position\": 32, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1289, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"101\", \"component\": \"GLU\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2764, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"LEU\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3362, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/MSH6__HUMAN__P52701/Unclassified_Review/6OQM/original.cif", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6OQM:LIG:J:UNX:209:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.2764, "minimum_chain_distance_angstrom": 3.2764, "minimum_core_distance_angstrom": 3.2764, "multiple_contacting_mapped_chains": 0, "pdb_id": "6OQM", "protein_id": "UP:P52701", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6OQM:LIG:J:UNX:209:.:SITE:UP:P52701:PWWP1:A", "source_coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9834, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6316, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1046, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9834, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6316, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1046, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9834, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6316, \"uniprot_position\": 274}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1046, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2009", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "nearest_polypeptide_distance_angstrom": 2.7898, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9834, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6316, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1046, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7898, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.588, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6825, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": 3.1046, "minimum_chain_distance_angstrom": 3.1046, "minimum_core_distance_angstrom": 3.1046, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7898, \"uniprot_position\": 320}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.588, \"uniprot_position\": 321}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": 323}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6825, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7898, \"uniprot_position\": 320}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.588, \"uniprot_position\": 321}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": 323}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6825, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2009", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "nearest_polypeptide_distance_angstrom": 2.7898, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9834, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6316, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1046, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7898, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.588, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6825, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": 2.7898, "minimum_chain_distance_angstrom": 2.7898, "minimum_core_distance_angstrom": 5.1173, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9074, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5617, \"uniprot_position\": 274}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0863, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9074, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5617, \"uniprot_position\": 274}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0863, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9074, \"uniprot_position\": 273}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5617, \"uniprot_position\": 274}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0863, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.7915, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9074, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5617, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0863, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5998, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6303, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6404, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "ligand_label_asym_id": "AB", "minimum_Pfam_distance_angstrom": 3.0863, "minimum_chain_distance_angstrom": 3.0863, "minimum_core_distance_angstrom": 3.0863, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": 320}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5998, \"uniprot_position\": 321}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6303, \"uniprot_position\": 323}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6404, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": 320}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5998, \"uniprot_position\": 321}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6303, \"uniprot_position\": 323}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6404, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.7915, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9074, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5617, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0863, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5998, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6303, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6404, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "ligand_label_asym_id": "AB", "minimum_Pfam_distance_angstrom": 2.7915, "minimum_chain_distance_angstrom": 2.7915, "minimum_core_distance_angstrom": 5.0263, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8891, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.604, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3447, \"uniprot_position\": 289}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6682, \"uniprot_position\": 290}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1498, \"uniprot_position\": 291}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8891, \"uniprot_position\": 287}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.604, \"uniprot_position\": 288}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3447, \"uniprot_position\": 289}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6682, \"uniprot_position\": 290}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1498, \"uniprot_position\": 291}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2010", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:BA:UNX:2010:.", "nearest_polypeptide_distance_angstrom": 2.8891, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8891, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.604, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3447, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6682, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1498, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:BA:UNX:2010:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": 2.8891, "minimum_chain_distance_angstrom": 2.8891, "minimum_core_distance_angstrom": 6.424, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5239, \"uniprot_position\": 265}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6719, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8287, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2837, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5239, \"uniprot_position\": 265}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6719, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8287, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2837, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5239, \"uniprot_position\": 265}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6719, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8287, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2837, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:BB:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 3.6719, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5239, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6719, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8287, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2837, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:BB:UNX:2003:.", "ligand_label_asym_id": "BB", "minimum_Pfam_distance_angstrom": 3.6719, "minimum_chain_distance_angstrom": 3.6719, "minimum_core_distance_angstrom": 3.6719, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7457, \"uniprot_position\": 330}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.972, \"uniprot_position\": 331}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"333\", \"component\": \"ALA\", \"entity_position\": 124, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6329, \"uniprot_position\": 333}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"334\", \"component\": \"SER\", \"entity_position\": 125, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2154, \"uniprot_position\": 334}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7457, \"uniprot_position\": 330}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.972, \"uniprot_position\": 331}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"333\", \"component\": \"ALA\", \"entity_position\": 124, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6329, \"uniprot_position\": 333}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"334\", \"component\": \"SER\", \"entity_position\": 125, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2154, \"uniprot_position\": 334}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2011", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:CA:UNX:2011:.", "nearest_polypeptide_distance_angstrom": 2.7457, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"330\", \"component\": \"GLU\", \"entity_position\": 121, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7457, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"331\", \"component\": \"GLU\", \"entity_position\": 122, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.972, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"333\", \"component\": \"ALA\", \"entity_position\": 124, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6329, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"334\", \"component\": \"SER\", \"entity_position\": 125, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2154, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:CA:UNX:2011:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": 2.7457, "minimum_chain_distance_angstrom": 2.7457, "minimum_core_distance_angstrom": 5.6932, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:CA:UNX:2011:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0905, \"uniprot_position\": 283}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1019, \"uniprot_position\": 285}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9398, \"uniprot_position\": 289}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0905, \"uniprot_position\": 283}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1019, \"uniprot_position\": 285}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9398, \"uniprot_position\": 289}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0905, \"uniprot_position\": 283}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1019, \"uniprot_position\": 285}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:CB:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 3.1019, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0905, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.1019, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9398, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:CB:UNX:2004:.", "ligand_label_asym_id": "CB", "minimum_Pfam_distance_angstrom": 3.1019, "minimum_chain_distance_angstrom": 3.1019, "minimum_core_distance_angstrom": 3.1019, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:CB:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": 228}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.575, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5691, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7561, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3264, \"uniprot_position\": 235}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8973, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9091, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": 228}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.575, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5691, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7561, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3264, \"uniprot_position\": 235}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8973, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9091, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": 228}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.575, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5691, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7561, \"uniprot_position\": 234}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3264, \"uniprot_position\": 235}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8973, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9091, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2012", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:DA:UNX:2012:.", "nearest_polypeptide_distance_angstrom": 2.7561, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8434, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.575, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5691, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7561, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8973, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9091, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:DA:UNX:2012:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 2.7561, "minimum_chain_distance_angstrom": 2.7561, "minimum_core_distance_angstrom": 2.7561, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:DA:UNX:2012:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.255, \"uniprot_position\": 234}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6573, \"uniprot_position\": 313}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7935, \"uniprot_position\": 314}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1771, \"uniprot_position\": 315}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8404, \"uniprot_position\": 318}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8734, \"uniprot_position\": 319}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.255, \"uniprot_position\": 234}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6573, \"uniprot_position\": 313}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7935, \"uniprot_position\": 314}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1771, \"uniprot_position\": 315}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8404, \"uniprot_position\": 318}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8734, \"uniprot_position\": 319}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.255, \"uniprot_position\": 234}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:DB:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 3.8404, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.255, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6573, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7935, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.1771, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8404, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 110, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8734, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:DB:UNX:2005:.", "ligand_label_asym_id": "DB", "minimum_Pfam_distance_angstrom": 3.8404, "minimum_chain_distance_angstrom": 3.8404, "minimum_core_distance_angstrom": 4.255, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9259, \"uniprot_position\": 241}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0694, \"uniprot_position\": 242}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5231, \"uniprot_position\": 222}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9259, \"uniprot_position\": 241}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0694, \"uniprot_position\": 242}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8981, \"uniprot_position\": 345}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5231, \"uniprot_position\": 222}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9259, \"uniprot_position\": 241}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0694, \"uniprot_position\": 242}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:EB:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 3.0694, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5231, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9259, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0694, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8981, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:EB:UNX:2006:.", "ligand_label_asym_id": "EB", "minimum_Pfam_distance_angstrom": 3.0694, "minimum_chain_distance_angstrom": 3.0694, "minimum_core_distance_angstrom": 3.0694, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8687, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6171, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1756, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8687, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6171, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1756, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8687, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6171, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1756, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.8137, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8687, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6171, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1756, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9957, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.8137, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5639, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7882, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": 3.1756, "minimum_chain_distance_angstrom": 3.1756, "minimum_core_distance_angstrom": 3.1756, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9957, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.8137, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5639, \"uniprot_position\": 321}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7882, \"uniprot_position\": 323}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6275, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9957, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.8137, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5639, \"uniprot_position\": 321}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7882, \"uniprot_position\": 323}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6275, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9957, \"uniprot_position\": 269}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.8137, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8687, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6171, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1756, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9957, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.8137, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5639, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7882, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": 2.8137, "minimum_chain_distance_angstrom": 2.8137, "minimum_core_distance_angstrom": 4.9957, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4262, \"uniprot_position\": 251}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4071, \"uniprot_position\": 252}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4262, \"uniprot_position\": 251}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4071, \"uniprot_position\": 252}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4262, \"uniprot_position\": 251}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4071, \"uniprot_position\": 252}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2007", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:FB:UNX:2007:.", "nearest_polypeptide_distance_angstrom": 3.4071, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4262, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"252\", \"component\": \"LEU\", \"entity_position\": 43, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.4071, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:FB:UNX:2007:.", "ligand_label_asym_id": "FB", "minimum_Pfam_distance_angstrom": 3.4071, "minimum_chain_distance_angstrom": 3.4071, "minimum_core_distance_angstrom": 3.4071, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7835, \"uniprot_position\": 241}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 242}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4294, \"uniprot_position\": 222}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7835, \"uniprot_position\": 241}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 242}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8065, \"uniprot_position\": 345}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4294, \"uniprot_position\": 222}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7835, \"uniprot_position\": 241}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": 242}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:GA:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.9139, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"222\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4294, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"241\", \"component\": \"SER\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7835, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"242\", \"component\": \"ALA\", \"entity_position\": 33, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9139, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"345\", \"component\": \"THR\", \"entity_position\": 136, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8065, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:GA:UNX:2003:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": 2.9139, "minimum_chain_distance_angstrom": 2.9139, "minimum_core_distance_angstrom": 2.9139, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.855, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6983, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0513, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.855, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6983, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0513, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.855, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6983, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0513, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2008", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "nearest_polypeptide_distance_angstrom": 2.6225, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.855, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6983, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0513, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6225, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9123, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "ligand_label_asym_id": "GB", "minimum_Pfam_distance_angstrom": 2.6983, "minimum_chain_distance_angstrom": 2.6983, "minimum_core_distance_angstrom": 2.6983, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6225, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9123, \"uniprot_position\": 321}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6225, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9123, \"uniprot_position\": 321}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6225, \"uniprot_position\": 269}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2008", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "nearest_polypeptide_distance_angstrom": 2.6225, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.855, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6983, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0513, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6225, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9123, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "ligand_label_asym_id": "GB", "minimum_Pfam_distance_angstrom": 2.6225, "minimum_chain_distance_angstrom": 2.6225, "minimum_core_distance_angstrom": 2.6225, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8795, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7797, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6079, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.974, \"uniprot_position\": 321}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8795, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7797, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6079, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.974, \"uniprot_position\": 321}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8795, \"uniprot_position\": 270}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7797, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6079, \"uniprot_position\": 272}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:HA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.6079, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8795, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7797, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6079, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.974, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:HA:UNX:2004:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": 2.6079, "minimum_chain_distance_angstrom": 2.6079, "minimum_core_distance_angstrom": 2.6079, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8121, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7358, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6174, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9509, \"uniprot_position\": 321}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8121, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7358, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6174, \"uniprot_position\": 272}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9509, \"uniprot_position\": 321}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8121, \"uniprot_position\": 270}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7358, \"uniprot_position\": 271}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6174, \"uniprot_position\": 272}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2009", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:HB:UNX:2009:.", "nearest_polypeptide_distance_angstrom": 2.6174, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8121, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7358, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.6174, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9509, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:HB:UNX:2009:.", "ligand_label_asym_id": "HB", "minimum_Pfam_distance_angstrom": 2.6174, "minimum_chain_distance_angstrom": 2.6174, "minimum_core_distance_angstrom": 2.6174, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:HB:UNX:2009:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6965, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": 272}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6965, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": 272}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6965, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": 272}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 2.822, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6965, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.822, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 3.1801, "minimum_chain_distance_angstrom": 3.1801, "minimum_core_distance_angstrom": 3.1801, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.822, \"uniprot_position\": 317}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.822, \"uniprot_position\": 317}]", "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 2.822, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6965, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.1801, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.822, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 2.822, "minimum_chain_distance_angstrom": 2.822, "minimum_core_distance_angstrom": 7.8264, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": 259}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 260}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6611, \"uniprot_position\": 277}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6495, \"uniprot_position\": 278}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5797, \"uniprot_position\": 279}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": 259}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 260}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6611, \"uniprot_position\": 277}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6495, \"uniprot_position\": 278}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5797, \"uniprot_position\": 279}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": 259}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": 260}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6611, \"uniprot_position\": 277}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6495, \"uniprot_position\": 278}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5797, \"uniprot_position\": 279}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2010", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:IB:UNX:2010:.", "nearest_polypeptide_distance_angstrom": 3.5797, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5858, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6611, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6495, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5797, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:IB:UNX:2010:.", "ligand_label_asym_id": "IB", "minimum_Pfam_distance_angstrom": 3.5797, "minimum_chain_distance_angstrom": 3.5797, "minimum_core_distance_angstrom": 3.5797, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6356, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1663, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8455, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6798, \"uniprot_position\": 279}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6356, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1663, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8455, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6798, \"uniprot_position\": 279}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": 259}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6356, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1663, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8455, \"uniprot_position\": 278}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6798, \"uniprot_position\": 279}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:J:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 3.6356, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0606, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6356, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1663, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8455, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6798, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:J:UNX:2002:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.6356, "minimum_chain_distance_angstrom": 3.6356, "minimum_core_distance_angstrom": 3.6356, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7931, \"uniprot_position\": 228}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5504, \"uniprot_position\": 229}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9745, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5631, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8439, \"uniprot_position\": 234}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3926, \"uniprot_position\": 235}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8804, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8355, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7931, \"uniprot_position\": 228}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5504, \"uniprot_position\": 229}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9745, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5631, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8439, \"uniprot_position\": 234}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3926, \"uniprot_position\": 235}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8804, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8355, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7931, \"uniprot_position\": 228}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5504, \"uniprot_position\": 229}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9745, \"uniprot_position\": 230}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5631, \"uniprot_position\": 233}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8439, \"uniprot_position\": 234}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3926, \"uniprot_position\": 235}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8804, \"uniprot_position\": 236}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8355, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:JA:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.7931, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7931, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5504, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.9745, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5631, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8439, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3926, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8804, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8355, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:JA:UNX:2006:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": 2.7931, "minimum_chain_distance_angstrom": 2.7931, "minimum_core_distance_angstrom": 2.7931, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7151, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0837, \"uniprot_position\": 272}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7151, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0837, \"uniprot_position\": 272}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7151, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0837, \"uniprot_position\": 272}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2011", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "nearest_polypeptide_distance_angstrom": 2.7907, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7151, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0837, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7907, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "ligand_label_asym_id": "JB", "minimum_Pfam_distance_angstrom": 3.0837, "minimum_chain_distance_angstrom": 3.0837, "minimum_core_distance_angstrom": 3.0837, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7907, \"uniprot_position\": 317}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7907, \"uniprot_position\": 317}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2011", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "nearest_polypeptide_distance_angstrom": 2.7907, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7151, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.0837, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.7907, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "ligand_label_asym_id": "JB", "minimum_Pfam_distance_angstrom": 2.7907, "minimum_chain_distance_angstrom": 2.7907, "minimum_core_distance_angstrom": 7.9876, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3854, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7709, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3084, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9225, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8343, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3089, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5799, \"uniprot_position\": 310}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3854, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7709, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3084, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9225, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8343, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3089, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5799, \"uniprot_position\": 310}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3854, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7709, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3084, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9225, \"uniprot_position\": 235}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:K:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.9225, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3854, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7709, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3084, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9225, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8343, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 85, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3089, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"LEU\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5799, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:K:UNX:2003:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 2.9225, "minimum_chain_distance_angstrom": 2.9225, "minimum_core_distance_angstrom": 2.9225, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:K:UNX:2003:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.7854, \"uniprot_position\": 228}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.562, \"uniprot_position\": 229}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9971, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6923, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8105, \"uniprot_position\": 234}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2883, \"uniprot_position\": 235}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8423, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5955, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.7854, \"uniprot_position\": 228}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.562, \"uniprot_position\": 229}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9971, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6923, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8105, \"uniprot_position\": 234}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2883, \"uniprot_position\": 235}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8423, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5955, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.7854, \"uniprot_position\": 228}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.562, \"uniprot_position\": 229}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9971, \"uniprot_position\": 230}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6923, \"uniprot_position\": 233}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8105, \"uniprot_position\": 234}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2883, \"uniprot_position\": 235}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8423, \"uniprot_position\": 236}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5955, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "2012", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:KB:UNX:2012:.", "nearest_polypeptide_distance_angstrom": 2.7854, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.7854, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.562, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.9971, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6923, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8105, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2883, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.8423, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5955, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:KB:UNX:2012:.", "ligand_label_asym_id": "KB", "minimum_Pfam_distance_angstrom": 2.7854, "minimum_chain_distance_angstrom": 2.7854, "minimum_core_distance_angstrom": 2.7854, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8328, \"uniprot_position\": 228}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8497, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.555, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7409, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2619, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0454, \"uniprot_position\": 236}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8328, \"uniprot_position\": 228}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8497, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.555, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7409, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2619, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0454, \"uniprot_position\": 236}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8328, \"uniprot_position\": 228}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": 229}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8497, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.555, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7409, \"uniprot_position\": 234}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2619, \"uniprot_position\": 235}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0454, \"uniprot_position\": 236}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:L:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.7409, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8328, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4423, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.8497, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.555, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7409, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2619, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0454, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:L:UNX:2004:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 2.7409, "minimum_chain_distance_angstrom": 2.7409, "minimum_core_distance_angstrom": 2.7409, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:L:UNX:2004:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5608, \"uniprot_position\": 261}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5312, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5608, \"uniprot_position\": 261}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5312, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5608, \"uniprot_position\": 261}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5312, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 3.5312, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5608, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5312, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6445, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7405, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6304, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": 3.5312, "minimum_chain_distance_angstrom": 3.5312, "minimum_core_distance_angstrom": 3.5312, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6445, \"uniprot_position\": 323}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7405, \"uniprot_position\": 324}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6304, \"uniprot_position\": 327}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6445, \"uniprot_position\": 323}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7405, \"uniprot_position\": 324}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6304, \"uniprot_position\": 327}]", "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 2, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 3.5312, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"261\", \"component\": \"GLN\", \"entity_position\": 52, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5608, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5312, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6445, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7405, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"327\", \"component\": \"VAL\", \"entity_position\": 118, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6304, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": 3.6445, "minimum_chain_distance_angstrom": 3.6445, "minimum_core_distance_angstrom": 8.9896, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4453, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9996, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4453, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9996, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4453, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9996, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 2.8144, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4453, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9996, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8144, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7101, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7562, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5525, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 2.9996, "minimum_chain_distance_angstrom": 2.9996, "minimum_core_distance_angstrom": 2.9996, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8144, \"uniprot_position\": 320}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7101, \"uniprot_position\": 321}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7562, \"uniprot_position\": 323}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5525, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8144, \"uniprot_position\": 320}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7101, \"uniprot_position\": 321}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7562, \"uniprot_position\": 323}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5525, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 2.8144, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4453, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9996, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8144, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7101, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7562, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5525, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 2.8144, "minimum_chain_distance_angstrom": 2.8144, "minimum_core_distance_angstrom": 5.0335, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7779, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5882, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9842, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7779, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5882, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9842, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7779, \"uniprot_position\": 273}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5882, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9842, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.7511, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7779, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5882, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9842, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7511, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.748, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.935, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9572, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": 2.7779, "minimum_chain_distance_angstrom": 2.7779, "minimum_core_distance_angstrom": 2.7779, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7511, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.748, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.935, \"uniprot_position\": 321}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9572, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7511, \"uniprot_position\": 269}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.748, \"uniprot_position\": 320}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.935, \"uniprot_position\": 321}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9572, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7511, \"uniprot_position\": 269}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.7511, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.7779, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5882, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9842, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.7511, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.748, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.935, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9572, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": 2.7511, "minimum_chain_distance_angstrom": 2.7511, "minimum_core_distance_angstrom": 2.7511, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5834, \"uniprot_position\": 223}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8065, \"uniprot_position\": 224}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0773, \"uniprot_position\": 225}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": 284}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5834, \"uniprot_position\": 223}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8065, \"uniprot_position\": 224}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0773, \"uniprot_position\": 225}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": 284}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3719, \"uniprot_position\": 340}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5834, \"uniprot_position\": 223}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8065, \"uniprot_position\": 224}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0773, \"uniprot_position\": 225}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": 284}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:MB:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 3.0773, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5834, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8065, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0773, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8143, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3719, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:MB:UNX:2002:.", "ligand_label_asym_id": "MB", "minimum_Pfam_distance_angstrom": 3.0773, "minimum_chain_distance_angstrom": 3.0773, "minimum_core_distance_angstrom": 3.0773, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:MB:UNX:2002:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"339\", \"component\": \"GLU\", \"entity_position\": 130, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9738, \"uniprot_position\": 339}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"LYS\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4934, \"uniprot_position\": 343}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:N:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.9738, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"339\", \"component\": \"GLU\", \"entity_position\": 130, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9738, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"343\", \"component\": \"LYS\", \"entity_position\": 134, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4934, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:N:UNX:2006:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 8.4242, "minimum_chain_distance_angstrom": 2.9738, "minimum_core_distance_angstrom": 12.0927, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:N:UNX:2006:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9363, \"uniprot_position\": 228}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5762, \"uniprot_position\": 229}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9181, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5947, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.696, \"uniprot_position\": 234}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 235}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9308, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9363, \"uniprot_position\": 228}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5762, \"uniprot_position\": 229}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9181, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5947, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.696, \"uniprot_position\": 234}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 235}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9308, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9363, \"uniprot_position\": 228}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5762, \"uniprot_position\": 229}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9181, \"uniprot_position\": 230}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5947, \"uniprot_position\": 233}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.696, \"uniprot_position\": 234}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 235}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9308, \"uniprot_position\": 236}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:NA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.696, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9363, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5762, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.9181, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5947, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.696, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9308, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:NA:UNX:2004:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": 2.696, "minimum_chain_distance_angstrom": 2.696, "minimum_core_distance_angstrom": 2.696, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8733, \"uniprot_position\": 259}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6542, \"uniprot_position\": 260}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5918, \"uniprot_position\": 277}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6461, \"uniprot_position\": 278}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4182, \"uniprot_position\": 279}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8733, \"uniprot_position\": 259}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6542, \"uniprot_position\": 260}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5918, \"uniprot_position\": 277}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6461, \"uniprot_position\": 278}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4182, \"uniprot_position\": 279}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8733, \"uniprot_position\": 259}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6542, \"uniprot_position\": 260}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5918, \"uniprot_position\": 277}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6461, \"uniprot_position\": 278}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4182, \"uniprot_position\": 279}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:NB:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 3.4182, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8733, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6542, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5918, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6461, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4182, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:NB:UNX:2003:.", "ligand_label_asym_id": "NB", "minimum_Pfam_distance_angstrom": 3.4182, "minimum_chain_distance_angstrom": 3.4182, "minimum_core_distance_angstrom": 3.4182, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:NB:UNX:2003:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8625, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2364, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5597, \"uniprot_position\": 284}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8625, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2364, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5597, \"uniprot_position\": 284}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7768, \"uniprot_position\": 340}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8625, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2364, \"uniprot_position\": 225}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5597, \"uniprot_position\": 284}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2007", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:O:UNX:2007:.", "nearest_polypeptide_distance_angstrom": 3.2364, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8625, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2364, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5597, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"340\", \"component\": \"ARG\", \"entity_position\": 131, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7768, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:O:UNX:2007:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.2364, "minimum_chain_distance_angstrom": 3.2364, "minimum_core_distance_angstrom": 3.2364, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:O:UNX:2007:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.84, \"uniprot_position\": 228}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6087, \"uniprot_position\": 229}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6015, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6888, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2542, \"uniprot_position\": 235}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8537, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9031, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.84, \"uniprot_position\": 228}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6087, \"uniprot_position\": 229}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6015, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6888, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2542, \"uniprot_position\": 235}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8537, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9031, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.84, \"uniprot_position\": 228}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6087, \"uniprot_position\": 229}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0139, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6015, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6888, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2542, \"uniprot_position\": 235}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8537, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9031, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OB", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:OB:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.6888, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.84, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6087, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.0139, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6015, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.6888, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2542, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8537, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9031, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:OB:UNX:2004:.", "ligand_label_asym_id": "OB", "minimum_Pfam_distance_angstrom": 2.6888, "minimum_chain_distance_angstrom": 2.6888, "minimum_core_distance_angstrom": 2.6888, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8031, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6443, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9961, \"uniprot_position\": 283}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4967, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8031, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6443, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9961, \"uniprot_position\": 283}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8031, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6443, \"uniprot_position\": 282}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9961, \"uniprot_position\": 283}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2008", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:P:UNX:2008:.", "nearest_polypeptide_distance_angstrom": 2.9961, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4967, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8031, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6443, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9961, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:P:UNX:2008:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 2.9961, "minimum_chain_distance_angstrom": 2.9961, "minimum_core_distance_angstrom": 2.9961, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9325, \"uniprot_position\": 228}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 229}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9843, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6027, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7684, \"uniprot_position\": 234}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2904, \"uniprot_position\": 235}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8876, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8149, \"uniprot_position\": 266}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9325, \"uniprot_position\": 228}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 229}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9843, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6027, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7684, \"uniprot_position\": 234}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2904, \"uniprot_position\": 235}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8876, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8149, \"uniprot_position\": 266}]", "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9325, \"uniprot_position\": 228}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": 229}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9843, \"uniprot_position\": 230}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6027, \"uniprot_position\": 233}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7684, \"uniprot_position\": 234}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2904, \"uniprot_position\": 235}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8876, \"uniprot_position\": 236}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8149, \"uniprot_position\": 266}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:PA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.7684, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"228\", \"component\": \"SER\", \"entity_position\": 19, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9325, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5555, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 21, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9843, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6027, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 25, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7684, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2904, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 27, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8876, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8149, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:PA:UNX:2002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": 2.7684, "minimum_chain_distance_angstrom": 2.7684, "minimum_core_distance_angstrom": 2.7684, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7716, \"uniprot_position\": 287}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8614, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5145, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.557, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2003, \"uniprot_position\": 291}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7716, \"uniprot_position\": 287}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8614, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5145, \"uniprot_position\": 289}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.557, \"uniprot_position\": 290}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2003, \"uniprot_position\": 291}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2009", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:Q:UNX:2009:.", "nearest_polypeptide_distance_angstrom": 2.7716, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.7716, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8614, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5145, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"290\", \"component\": \"PHE\", \"entity_position\": 81, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.557, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"GLU\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2003, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:Q:UNX:2009:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 2.7716, "minimum_chain_distance_angstrom": 2.7716, "minimum_core_distance_angstrom": 6.4395, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:Q:UNX:2009:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 265}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0137, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8633, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 265}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0137, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8633, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": 265}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0137, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8633, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:QA:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 3.8633, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9101, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0137, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8633, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3146, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:QA:UNX:2003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": 3.8633, "minimum_chain_distance_angstrom": 3.8633, "minimum_core_distance_angstrom": 3.8633, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0153, \"uniprot_position\": 224}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"218\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4109, \"uniprot_position\": 218}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3635, \"uniprot_position\": 219}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9125, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"ASN\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9286, \"uniprot_position\": 221}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0153, \"uniprot_position\": 224}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0153, \"uniprot_position\": 224}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "2010", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:R:UNX:2010:.", "nearest_polypeptide_distance_angstrom": 3.0153, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"218\", \"component\": \"LEU\", \"entity_position\": 9, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4109, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3635, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9125, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"221\", \"component\": \"ASN\", \"entity_position\": 12, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9286, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0153, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:R:UNX:2010:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 3.0153, "minimum_chain_distance_angstrom": 3.0153, "minimum_core_distance_angstrom": 3.0153, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:R:UNX:2010:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.6797, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8616, \"uniprot_position\": 270}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.6797, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8616, \"uniprot_position\": 270}]", "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.6797, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8616, \"uniprot_position\": 270}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "RA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.6797, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.6797, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8616, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9889, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "ligand_label_asym_id": "RA", "minimum_Pfam_distance_angstrom": 2.6797, "minimum_chain_distance_angstrom": 2.6797, "minimum_core_distance_angstrom": 2.6797, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9889, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9889, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:H:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9889, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "RA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.6797, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.6797, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8616, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9889, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "ligand_label_asym_id": "RA", "minimum_Pfam_distance_angstrom": 2.9889, "minimum_chain_distance_angstrom": 2.9889, "minimum_core_distance_angstrom": 2.9889, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3263, \"uniprot_position\": 315}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9737, \"uniprot_position\": 316}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3398, \"uniprot_position\": 317}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2666, \"uniprot_position\": 318}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3263, \"uniprot_position\": 315}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9737, \"uniprot_position\": 316}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3398, \"uniprot_position\": 317}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2666, \"uniprot_position\": 318}]", "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:SA:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 3.2666, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 107, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9737, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3398, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2666, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:SA:UNX:2005:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 3.2666, "minimum_chain_distance_angstrom": 3.2666, "minimum_core_distance_angstrom": 8.7459, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:SA:UNX:2005:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4889, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5334, \"uniprot_position\": 272}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4889, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5334, \"uniprot_position\": 272}]", "chain_id": "PDB:6UE6:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4889, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5334, \"uniprot_position\": 272}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.8455, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4889, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5334, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8455, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 3.5334, "minimum_chain_distance_angstrom": 3.5334, "minimum_core_distance_angstrom": 3.5334, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8455, \"uniprot_position\": 317}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8455, \"uniprot_position\": 317}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.8455, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4889, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5334, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 108, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8455, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 2.8455, "minimum_chain_distance_angstrom": 2.8455, "minimum_core_distance_angstrom": 8.0889, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7333, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8761, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8361, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7333, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8761, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8361, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7333, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8761, \"uniprot_position\": 272}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8361, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.8178, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7333, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8761, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8361, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8178, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 2.8361, "minimum_chain_distance_angstrom": 2.8361, "minimum_core_distance_angstrom": 2.8361, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8178, \"uniprot_position\": 269}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8178, \"uniprot_position\": 269}]", "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8178, \"uniprot_position\": 269}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.8178, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7333, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8761, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8361, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8178, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 2.8178, "minimum_chain_distance_angstrom": 2.8178, "minimum_core_distance_angstrom": 2.8178, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8125, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7857, \"uniprot_position\": 279}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9894, \"uniprot_position\": 281}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6734, \"uniprot_position\": 282}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.554, \"uniprot_position\": 219}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7724, \"uniprot_position\": 220}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8125, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7857, \"uniprot_position\": 279}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9894, \"uniprot_position\": 281}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6734, \"uniprot_position\": 282}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8125, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7857, \"uniprot_position\": 279}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9894, \"uniprot_position\": 281}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6734, \"uniprot_position\": 282}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:U:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.7724, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"219\", \"component\": \"LYS\", \"entity_position\": 10, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.554, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7724, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8125, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7857, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"281\", \"component\": \"LEU\", \"entity_position\": 72, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9894, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"282\", \"component\": \"VAL\", \"entity_position\": 73, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6734, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:U:UNX:2003:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": 2.8125, "minimum_chain_distance_angstrom": 2.7724, "minimum_core_distance_angstrom": 2.8125, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 259}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2042, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5138, \"uniprot_position\": 277}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3157, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.446, \"uniprot_position\": 279}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 259}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2042, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5138, \"uniprot_position\": 277}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3157, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.446, \"uniprot_position\": 279}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": 259}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2042, \"uniprot_position\": 260}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5138, \"uniprot_position\": 277}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3157, \"uniprot_position\": 278}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.446, \"uniprot_position\": 279}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:V:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 3.2042, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"259\", \"component\": \"ALA\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0164, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"ARG\", \"entity_position\": 51, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2042, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"277\", \"component\": \"PHE\", \"entity_position\": 68, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5138, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"278\", \"component\": \"GLU\", \"entity_position\": 69, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3157, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"279\", \"component\": \"LYS\", \"entity_position\": 70, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.446, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:V:UNX:2004:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 3.2042, "minimum_chain_distance_angstrom": 3.2042, "minimum_core_distance_angstrom": 3.2042, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:V:UNX:2004:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2512, \"uniprot_position\": 224}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6984, \"uniprot_position\": 225}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7303, \"uniprot_position\": 226}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7356, \"uniprot_position\": 283}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9178, \"uniprot_position\": 284}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8923, \"uniprot_position\": 220}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2512, \"uniprot_position\": 224}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6984, \"uniprot_position\": 225}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7303, \"uniprot_position\": 226}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7356, \"uniprot_position\": 283}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9178, \"uniprot_position\": 284}]", "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2512, \"uniprot_position\": 224}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6984, \"uniprot_position\": 225}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7303, \"uniprot_position\": 226}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7356, \"uniprot_position\": 283}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9178, \"uniprot_position\": 284}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "2002", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "VA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:VA:UNX:2002:.", "nearest_polypeptide_distance_angstrom": 2.6984, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"220\", \"component\": \"TYR\", \"entity_position\": 11, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8923, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2512, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6984, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7303, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7356, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9178, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:VA:UNX:2002:.", "ligand_label_asym_id": "VA", "minimum_Pfam_distance_angstrom": 2.6984, "minimum_chain_distance_angstrom": 2.6984, "minimum_core_distance_angstrom": 2.6984, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0367, \"uniprot_position\": 224}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7858, \"uniprot_position\": 225}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8683, \"uniprot_position\": 226}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9684, \"uniprot_position\": 283}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1085, \"uniprot_position\": 284}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0367, \"uniprot_position\": 224}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7858, \"uniprot_position\": 225}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8683, \"uniprot_position\": 226}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9684, \"uniprot_position\": 283}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1085, \"uniprot_position\": 284}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0367, \"uniprot_position\": 224}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7858, \"uniprot_position\": 225}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8683, \"uniprot_position\": 226}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9684, \"uniprot_position\": 283}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1085, \"uniprot_position\": 284}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:W:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 2.7858, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"224\", \"component\": \"ASP\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0367, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"225\", \"component\": \"LEU\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7858, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"226\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8683, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"283\", \"component\": \"ALA\", \"entity_position\": 74, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9684, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"284\", \"component\": \"PHE\", \"entity_position\": 75, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1085, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:W:UNX:2005:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 2.7858, "minimum_chain_distance_angstrom": 2.7858, "minimum_core_distance_angstrom": 2.7858, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:W:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8365, \"uniprot_position\": 248}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.7493, \"uniprot_position\": 250}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9747, \"uniprot_position\": 251}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8365, \"uniprot_position\": 248}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.7493, \"uniprot_position\": 250}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9747, \"uniprot_position\": 251}]", "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8365, \"uniprot_position\": 248}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.7493, \"uniprot_position\": 250}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9747, \"uniprot_position\": 251}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "2003", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "WA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:WA:UNX:2003:.", "nearest_polypeptide_distance_angstrom": 2.7493, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"248\", \"component\": \"SER\", \"entity_position\": 39, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8365, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"250\", \"component\": \"THR\", \"entity_position\": 41, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.7493, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 42, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9747, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:WA:UNX:2003:.", "ligand_label_asym_id": "WA", "minimum_Pfam_distance_angstrom": 2.7493, "minimum_chain_distance_angstrom": 2.7493, "minimum_core_distance_angstrom": 2.7493, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7043, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 36, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6645, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6847, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8421, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7043, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 36, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6645, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6847, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8421, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7043, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 36, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6645, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6847, \"uniprot_position\": 246}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8421, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.7043, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7043, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 36, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6645, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6847, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8421, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.451, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 119, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8618, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 2.7043, "minimum_chain_distance_angstrom": 2.7043, "minimum_core_distance_angstrom": 2.7043, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.451, \"uniprot_position\": 324}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 119, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8618, \"uniprot_position\": 328}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.451, \"uniprot_position\": 324}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 119, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8618, \"uniprot_position\": 328}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 2, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2006", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "nearest_polypeptide_distance_angstrom": 2.7043, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 34, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7043, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 36, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6645, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"246\", \"component\": \"LEU\", \"entity_position\": 37, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6847, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8421, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.451, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 119, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.8618, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 2.8618, "minimum_chain_distance_angstrom": 2.8618, "minimum_core_distance_angstrom": 5.7719, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9683, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4921, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9972, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9683, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4921, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9972, \"uniprot_position\": 275}]", "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9683, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4921, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9972, \"uniprot_position\": 275}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "XA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.8822, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9683, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4921, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9972, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8822, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6897, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6778, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "ligand_label_asym_id": "XA", "minimum_Pfam_distance_angstrom": 2.9972, "minimum_chain_distance_angstrom": 2.9972, "minimum_core_distance_angstrom": 2.9972, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8822, \"uniprot_position\": 320}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6897, \"uniprot_position\": 321}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": 323}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6778, \"uniprot_position\": 324}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8822, \"uniprot_position\": 320}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6897, \"uniprot_position\": 321}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": 323}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6778, \"uniprot_position\": 324}]", "chain_id": "PDB:6UE6:CHAIN:G:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "2004", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "XA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "nearest_polypeptide_distance_angstrom": 2.8822, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9683, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 65, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4921, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 66, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9972, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.8822, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 112, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6897, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 114, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"324\", \"component\": \"MET\", \"entity_position\": 115, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.6778, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "ligand_label_asym_id": "XA", "minimum_Pfam_distance_angstrom": 2.8822, "minimum_chain_distance_angstrom": 2.8822, "minimum_core_distance_angstrom": 5.0428, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.903, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0815, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.903, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0815, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.903, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0815, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2007", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "nearest_polypeptide_distance_angstrom": 2.6972, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.903, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0815, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6972, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": 2.903, "minimum_chain_distance_angstrom": 2.903, "minimum_core_distance_angstrom": 2.903, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6972, \"uniprot_position\": 269}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6972, \"uniprot_position\": 269}]", "chain_id": "PDB:6UE6:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6972, \"uniprot_position\": 269}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2007", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "nearest_polypeptide_distance_angstrom": 2.6972, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.903, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.0815, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 60, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6972, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": 2.6972, "minimum_chain_distance_angstrom": 2.6972, "minimum_core_distance_angstrom": 2.6972, "multiple_contacting_mapped_chains": 1, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.31, \"uniprot_position\": 285}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 286}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5333, \"uniprot_position\": 287}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7341, \"uniprot_position\": 288}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8872, \"uniprot_position\": 289}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.31, \"uniprot_position\": 285}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 286}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5333, \"uniprot_position\": 287}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7341, \"uniprot_position\": 288}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8872, \"uniprot_position\": 289}]", "chain_id": "PDB:6UE6:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.31, \"uniprot_position\": 285}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": 286}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "2005", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "YA", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:YA:UNX:2005:.", "nearest_polypeptide_distance_angstrom": 3.7341, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"285\", \"component\": \"GLU\", \"entity_position\": 76, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.31, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"286\", \"component\": \"GLY\", \"entity_position\": 77, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7497, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"287\", \"component\": \"GLU\", \"entity_position\": 78, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5333, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7341, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"289\", \"component\": \"GLN\", \"entity_position\": 80, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8872, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:YA:UNX:2005:.", "ligand_label_asym_id": "YA", "minimum_Pfam_distance_angstrom": 3.7341, "minimum_chain_distance_angstrom": 3.7341, "minimum_core_distance_angstrom": 3.7497, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3722, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9909, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4515, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3722, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9909, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4515, \"uniprot_position\": 273}]", "chain_id": "PDB:6UE6:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3722, \"uniprot_position\": 265}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": 271}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9909, \"uniprot_position\": 272}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4515, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "2008", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:6UE6:LIG:Z:UNX:2008:.", "nearest_polypeptide_distance_angstrom": 3.9909, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6UE6", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"265\", \"component\": \"GLN\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3722, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.993, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9909, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4515, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6UE6/original.cif", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6UE6:LIG:Z:UNX:2008:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": 3.9909, "minimum_chain_distance_angstrom": 3.9909, "minimum_core_distance_angstrom": 3.9909, "multiple_contacting_mapped_chains": 0, "pdb_id": "6UE6", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2408, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8998, \"uniprot_position\": 235}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 88, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6934, \"uniprot_position\": 297}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3333, \"uniprot_position\": 300}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2408, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8998, \"uniprot_position\": 235}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 88, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6934, \"uniprot_position\": 297}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3333, \"uniprot_position\": 300}]", "chain_id": "PDB:6XCG:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2408, \"uniprot_position\": 229}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8998, \"uniprot_position\": 235}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:F:UNX:402:.", "nearest_polypeptide_distance_angstrom": 2.6934, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"229\", \"component\": \"LYS\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2408, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"235\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8998, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"297\", \"component\": \"SER\", \"entity_position\": 88, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6934, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3333, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:F:UNX:402:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.6934, "minimum_chain_distance_angstrom": 2.6934, "minimum_core_distance_angstrom": 3.8998, "multiple_contacting_mapped_chains": 0, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:F:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3327, \"uniprot_position\": 313}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7448, \"uniprot_position\": 314}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9509, \"uniprot_position\": 315}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4991, \"uniprot_position\": 318}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3327, \"uniprot_position\": 313}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7448, \"uniprot_position\": 314}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9509, \"uniprot_position\": 315}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4991, \"uniprot_position\": 318}]", "chain_id": "PDB:6XCG:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "403", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:G:UNX:403:.", "nearest_polypeptide_distance_angstrom": 2.9509, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3327, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7448, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9509, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4991, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:G:UNX:403:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.9509, "minimum_chain_distance_angstrom": 2.9509, "minimum_core_distance_angstrom": 6.0183, "multiple_contacting_mapped_chains": 0, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7944, \"uniprot_position\": 300}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7944, \"uniprot_position\": 300}]", "chain_id": "PDB:6XCG:CHAIN:B:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "nearest_polypeptide_distance_angstrom": 2.7944, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7944, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5233, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.7944, "minimum_chain_distance_angstrom": 2.7944, "minimum_core_distance_angstrom": 6.7158, "multiple_contacting_mapped_chains": 1, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5233, \"uniprot_position\": 288}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5233, \"uniprot_position\": 288}]", "chain_id": "PDB:6XCG:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 2, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "nearest_polypeptide_distance_angstrom": 2.7944, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"300\", \"component\": \"GLN\", \"entity_position\": 91, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.7944, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"288\", \"component\": \"GLY\", \"entity_position\": 79, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5233, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.5233, "minimum_chain_distance_angstrom": 3.5233, "minimum_core_distance_angstrom": 7.564, "multiple_contacting_mapped_chains": 1, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4186, \"uniprot_position\": 232}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8859, \"uniprot_position\": 233}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4186, \"uniprot_position\": 232}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8859, \"uniprot_position\": 233}]", "chain_id": "PDB:6XCG:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4186, \"uniprot_position\": 232}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8859, \"uniprot_position\": 233}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:J:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.4186, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"232\", \"component\": \"GLY\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4186, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8859, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:J:UNX:402:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.4186, "minimum_chain_distance_angstrom": 3.4186, "minimum_core_distance_angstrom": 3.4186, "multiple_contacting_mapped_chains": 0, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0943, \"uniprot_position\": 313}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5428, \"uniprot_position\": 314}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0144, \"uniprot_position\": 315}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3038, \"uniprot_position\": 318}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0943, \"uniprot_position\": 313}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5428, \"uniprot_position\": 314}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0144, \"uniprot_position\": 315}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3038, \"uniprot_position\": 318}]", "chain_id": "PDB:6XCG:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "403", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:K:UNX:403:.", "nearest_polypeptide_distance_angstrom": 3.0144, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"313\", \"component\": \"PRO\", \"entity_position\": 104, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0943, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"314\", \"component\": \"ILE\", \"entity_position\": 105, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5428, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"315\", \"component\": \"SER\", \"entity_position\": 106, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0144, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 109, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3038, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:K:UNX:403:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.0144, "minimum_chain_distance_angstrom": 3.0144, "minimum_core_distance_angstrom": 5.5084, "multiple_contacting_mapped_chains": 0, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7802, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5609, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.225, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7802, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5609, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.225, \"uniprot_position\": 273}]", "chain_id": "PDB:6XCG:CHAIN:C:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7802, \"uniprot_position\": 271}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5609, \"uniprot_position\": 272}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.225, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "404", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 141, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:6XCG:LIG:L:UNX:404:.", "nearest_polypeptide_distance_angstrom": 2.5609, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "6XCG", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 62, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7802, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 63, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5609, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 64, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.225, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/6XCG/original.cif", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:6XCG:LIG:L:UNX:404:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 2.5609, "minimum_chain_distance_angstrom": 2.5609, "minimum_core_distance_angstrom": 2.5609, "multiple_contacting_mapped_chains": 0, "pdb_id": "6XCG", "protein_id": "UP:O96028", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C", "source_coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1526, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7519, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8512, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": 323}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1526, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7519, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8512, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": 323}]", "chain_id": "PDB:7LMT:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.1526, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7LMT", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1526, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7519, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8512, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5056, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.1526, "minimum_chain_distance_angstrom": 3.1526, "minimum_core_distance_angstrom": 10.1438, "multiple_contacting_mapped_chains": 1, "pdb_id": "7LMT", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5056, \"uniprot_position\": 230}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5056, \"uniprot_position\": 230}]", "chain_id": "PDB:7LMT:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5056, \"uniprot_position\": 230}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.1526, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7LMT", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.1526, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7519, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8512, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5056, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 4.5056, "minimum_chain_distance_angstrom": 4.5056, "minimum_core_distance_angstrom": 4.5056, "multiple_contacting_mapped_chains": 1, "pdb_id": "7LMT", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0966, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0966, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 273}]", "chain_id": "PDB:7LMT:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0966, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "nearest_polypeptide_distance_angstrom": 2.8002, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7LMT", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0966, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8002, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5024, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8759, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3476, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3227, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4843, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.0329, "minimum_chain_distance_angstrom": 3.0329, "minimum_core_distance_angstrom": 3.0329, "multiple_contacting_mapped_chains": 1, "pdb_id": "7LMT", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8002, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5024, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8759, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3476, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3227, \"uniprot_position\": 328}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8002, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5024, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8759, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3476, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3227, \"uniprot_position\": 328}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4843, \"uniprot_position\": 346}]", "chain_id": "PDB:7LMT:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8002, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5024, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8759, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3476, \"uniprot_position\": 271}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "nearest_polypeptide_distance_angstrom": 2.8002, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7LMT", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0966, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0329, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.8002, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5024, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8759, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3476, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3227, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4843, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 2.8002, "minimum_chain_distance_angstrom": 2.8002, "minimum_core_distance_angstrom": 2.8002, "multiple_contacting_mapped_chains": 1, "pdb_id": "7LMT", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3789, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8908, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.946, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.717, \"uniprot_position\": 323}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3789, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8908, \"uniprot_position\": 319}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.946, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.717, \"uniprot_position\": 323}]", "chain_id": "PDB:7MDN:CHAIN:A:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.3789, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7MDN", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3789, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8908, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.946, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.717, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4957, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 3.3789, "minimum_chain_distance_angstrom": 3.3789, "minimum_core_distance_angstrom": 10.1432, "multiple_contacting_mapped_chains": 1, "pdb_id": "7MDN", "protein_id": "UP:O96028", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4957, \"uniprot_position\": 230}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4957, \"uniprot_position\": 230}]", "chain_id": "PDB:7MDN:CHAIN:F:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4957, \"uniprot_position\": 230}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "nearest_polypeptide_distance_angstrom": 3.3789, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7MDN", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3789, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"319\", \"component\": \"ARG\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8908, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.946, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"323\", \"component\": \"GLU\", \"entity_position\": 113, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.717, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4957, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 4.4957, "minimum_chain_distance_angstrom": 4.4957, "minimum_core_distance_angstrom": 4.4957, "multiple_contacting_mapped_chains": 1, "pdb_id": "7MDN", "protein_id": "UP:O96028", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2179, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1064, \"uniprot_position\": 273}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2179, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1064, \"uniprot_position\": 273}]", "chain_id": "PDB:7MDN:CHAIN:D:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2179, \"uniprot_position\": 245}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1064, \"uniprot_position\": 273}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "nearest_polypeptide_distance_angstrom": 2.9009, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7MDN", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2179, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1064, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9009, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6357, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3052, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4575, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4824, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 3.1064, "minimum_chain_distance_angstrom": 3.1064, "minimum_core_distance_angstrom": 3.1064, "multiple_contacting_mapped_chains": 1, "pdb_id": "7MDN", "protein_id": "UP:O96028", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9009, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6357, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3052, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4575, \"uniprot_position\": 328}]", "biochemical_activity_inferred": 0, "ccd_id": "UNX", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9009, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6357, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3052, \"uniprot_position\": 271}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4575, \"uniprot_position\": 328}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4824, \"uniprot_position\": 346}]", "chain_id": "PDB:7MDN:CHAIN:E:UP:O96028", "chemical_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9009, \"uniprot_position\": 268}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6357, \"uniprot_position\": 269}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": 270}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3052, \"uniprot_position\": 271}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "402", "ccd_id": "UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "nearest_polypeptide_distance_angstrom": 2.9009, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7MDN", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 35, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2179, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1064, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.9009, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.6357, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3052, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"328\", \"component\": \"GLN\", \"entity_position\": 118, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4575, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"346\", \"component\": \"PHE\", \"entity_position\": 136, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4824, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 2.9009, "minimum_chain_distance_angstrom": 2.9009, "minimum_core_distance_angstrom": 2.9009, "multiple_contacting_mapped_chains": 1, "pdb_id": "7MDN", "protein_id": "UP:O96028", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 0, "context_pdb_count": 15, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "Association / verification pending", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 224, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "entity_kind": "chemical_identity", "identity_resolved": false, "measured_observation_count": 0, "name": "UNKNOWN ATOM OR ION", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:4FU6:LIG:F:UNX:205:.:SITE:UP:O75475:PWWP1:A", "PDB:4RXJ:LIG:D:UNX:1103:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:5C6S:LIG:S:UNX:1318:.:SITE:UP:P55201:PWWP1:A", "PDB:1KHC:LIG:F:UNX:167:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:G:UNX:168:.:SITE:UP:O88509:PWWP1:A", "PDB:6UE6:LIG:N:UNX:2006:.:SITE:UP:O96028:PWWP1:A", "PDB:3QBY:LIG:O:UNX:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QJ6:LIG:D:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4RXJ:LIG:F:UNX:1105:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:5VC8:LIG:OA:UNX:415:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:IA:UNX:409:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:LA:UNX:412:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:RA:UNX:418:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:EA:UNX:405:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:BA:UNX:402:.:SITE:UP:O96028:PWWP1:B", "PDB:3QBY:LIG:U:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:4RXJ:LIG:G:UNX:1106:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:4Z02:LIG:G:UNX:1105:.:SITE:UP:O95696:PWWP1:A", "PDB:4Z02:LIG:K:UNX:1109:.:SITE:UP:O95696:PWWP1:A", "PDB:4RXJ:LIG:E:UNX:1104:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:5C6S:LIG:L:UNX:1311:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:H:UNX:1307:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:M:UNX:1312:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:E:UNX:1304:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:F:UNX:1305:.:SITE:UP:P55201:PWWP1:A", "PDB:3QBY:LIG:Q:UNX:106:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:5C6S:LIG:N:UNX:1313:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:O:UNX:1314:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:K:UNX:1310:.:SITE:UP:P55201:PWWP1:A", "PDB:6OQM:LIG:H:UNX:207:.:SITE:UP:P52701:PWWP1:A", "PDB:3L42:LIG:D:UNX:3:.:SITE:UP:P55201:PWWP1:A", "PDB:3L42:LIG:C:UNX:2:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:R:UNX:1317:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:P:UNX:1315:.:SITE:UP:P55201:PWWP1:A", "PDB:3L42:LIG:B:UNX:1:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:G:UNX:1306:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:Q:UNX:1316:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:J:UNX:1309:.:SITE:UP:P55201:PWWP1:A", "PDB:5C6S:LIG:I:UNX:1308:.:SITE:UP:P55201:PWWP1:A", "PDB:6OQM:LIG:I:UNX:208:.:SITE:UP:P52701:PWWP1:A", "PDB:3QBY:LIG:N:UNX:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:K:UNX:100:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:6OQM:LIG:B:UNX:201:.:SITE:UP:P52701:PWWP1:A", "PDB:3QBY:LIG:H:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4FU6:LIG:I:UNX:208:.:SITE:UP:O75475:PWWP1:A", "PDB:3QBY:LIG:M:UNX:102:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:5VC8:LIG:R:UNX:412:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:O:UNX:2007:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:Z:UNX:420:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:R:UNX:2010:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:S:UNX:413:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:T:UNX:414:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:L:UNX:2004:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:N:UNX:408:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:P:UNX:410:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:K:UNX:2003:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:X:UNX:418:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:M:UNX:174:.:SITE:UP:O88509:PWWP1:A", "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:K:UNX:172:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:L:UNX:173:.:SITE:UP:O88509:PWWP1:A", "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:M:UNX:407:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:E:UNX:166:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:D:UNX:165:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:B:UNX:163:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:C:UNX:164:.:SITE:UP:O88509:PWWP1:A", "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:K:UNX:405:.:SITE:UP:O96028:PWWP1:A", "PDB:6UE6:LIG:Q:UNX:2009:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:W:UNX:184:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:S:UNX:180:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:Q:UNX:178:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:U:UNX:182:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:T:UNX:181:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:R:UNX:179:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:V:UNX:183:.:SITE:UP:O88509:PWWP1:A", "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:J:UNX:171:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:H:UNX:169:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A", "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A", "PDB:1KHC:LIG:N:UNX:175:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:O:UNX:176:.:SITE:UP:O88509:PWWP1:A", "PDB:1KHC:LIG:P:UNX:177:.:SITE:UP:O88509:PWWP1:A", "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A", "PDB:5VC8:LIG:I:UNX:403:.:SITE:UP:O96028:PWWP1:A", "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4LD6:LIG:E:UNX:3004:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:4LD6:LIG:G:UNX:3006:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:4LD6:LIG:F:UNX:3005:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4FU6:LIG:G:UNX:206:.:SITE:UP:O75475:PWWP1:A", "PDB:4LD6:LIG:H:UNX:3007:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:4LD6:LIG:D:UNX:3003:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:4LD6:LIG:C:UNX:3002:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:3QJ6:LIG:E:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:J:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:L:UNX:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:3QBY:LIG:F:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4FU6:LIG:H:UNX:207:.:SITE:UP:O75475:PWWP1:A", "PDB:3QBY:LIG:G:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4FU6:LIG:J:UNX:209:.:SITE:UP:O75475:PWWP1:A", "PDB:3QBY:LIG:E:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4Z02:LIG:J:UNX:1108:.:SITE:UP:O95696:PWWP1:A", "PDB:4Z02:LIG:I:UNX:1107:.:SITE:UP:O95696:PWWP1:A", "PDB:4Z02:LIG:E:UNX:1103:.:SITE:UP:O95696:PWWP1:A", "PDB:4Z02:LIG:F:UNX:1104:.:SITE:UP:O95696:PWWP1:A", "PDB:4Z02:LIG:H:UNX:1106:.:SITE:UP:O95696:PWWP1:A", "PDB:4RXJ:LIG:B:UNX:1101:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:4RXJ:LIG:I:UNX:1108:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:4RXJ:LIG:C:UNX:1102:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:4RXJ:LIG:H:UNX:1107:.:SITE:UP:Q9BZ95:PWWP2:A", "PDB:6OQM:LIG:J:UNX:209:.:SITE:UP:P52701:PWWP1:A", "PDB:3QBY:LIG:P:UNX:105:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:6UE6:LIG:W:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:DA:UNX:2012:.:SITE:UP:O96028:PWWP1:B", "PDB:6XCG:LIG:F:UNX:402:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:V:UNX:2004:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B", "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B", "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B", "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B", "PDB:6UE6:LIG:CA:UNX:2011:.:SITE:UP:O96028:PWWP1:B", "PDB:3QBY:LIG:V:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:3QBY:LIG:T:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B", "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B", "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B", "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C", "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C", "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C", "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D", "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D", "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D", "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E", "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E", "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E", "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E", "PDB:6UE6:LIG:SA:UNX:2005:.:SITE:UP:O96028:PWWP1:E", "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F", "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F", "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F", "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F", "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F", "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:HB:UNX:2009:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:CB:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "PDB:6UE6:LIG:MB:UNX:2002:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:NB:UNX:2003:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:H", "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:H" ], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 224, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:1KHC:LIG:B:UNX:163:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:B:UNX:163:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:B:UNX:163:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:C:UNX:164:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:C:UNX:164:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:C:UNX:164:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:D:UNX:165:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:D:UNX:165:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:D:UNX:165:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:E:UNX:166:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:E:UNX:166:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:E:UNX:166:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:F:UNX:167:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:F:UNX:167:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:F:UNX:167:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:G:UNX:168:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:G:UNX:168:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:G:UNX:168:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:H:UNX:169:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:H:UNX:169:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:H:UNX:169:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:I:UNX:170:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:I:UNX:170:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:J:UNX:171:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:J:UNX:171:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:J:UNX:171:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:K:UNX:172:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:K:UNX:172:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:K:UNX:172:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:L:UNX:173:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:L:UNX:173:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:L:UNX:173:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:M:UNX:174:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:M:UNX:174:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:M:UNX:174:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:N:UNX:175:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:N:UNX:175:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:N:UNX:175:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:O:UNX:176:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:O:UNX:176:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:O:UNX:176:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:P:UNX:177:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:P:UNX:177:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:P:UNX:177:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:Q:UNX:178:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:Q:UNX:178:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:Q:UNX:178:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:R:UNX:179:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:R:UNX:179:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:R:UNX:179:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:S:UNX:180:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:S:UNX:180:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:S:UNX:180:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:T:UNX:181:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:T:UNX:181:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:T:UNX:181:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:U:UNX:182:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:U:UNX:182:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:U:UNX:182:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:V:UNX:183:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:V:UNX:183:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:V:UNX:183:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:1KHC:LIG:W:UNX:184:.:SITE:UP:O88509:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7", "domain_id": "UP:O88509:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:1KHC:LIG:W:UNX:184:.", "observed_other_component": false, "pdb_id": "1KHC", "protein_id": "UP:O88509", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:1KHC:LIG:W:UNX:184:.:SITE:UP:O88509:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/1KHC", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3L42:LIG:B:UNX:1:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3L42:LIG:B:UNX:1:.", "observed_other_component": false, "pdb_id": "3L42", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3L42:LIG:B:UNX:1:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3L42", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3L42:LIG:C:UNX:2:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3L42:LIG:C:UNX:2:.", "observed_other_component": false, "pdb_id": "3L42", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3L42:LIG:C:UNX:2:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3L42", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3L42:LIG:D:UNX:3:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "31b1f56bccf2d882b6a14bb4017b8f1bc479cb8ca64f9af34fe120f5b5965ba3", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3L42:LIG:D:UNX:3:.", "observed_other_component": false, "pdb_id": "3L42", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3L42:LIG:D:UNX:3:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3L42", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:E:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:E:UNX:94:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:E:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:F:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:F:UNX:95:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:F:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:G:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:G:UNX:96:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:G:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:H:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:H:UNX:97:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:H:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:I:UNX:98:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:I:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:J:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:J:UNX:99:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:J:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:K:UNX:100:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:K:UNX:100:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:K:UNX:100:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:L:UNX:101:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:L:UNX:101:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:L:UNX:101:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:M:UNX:102:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:M:UNX:102:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:M:UNX:102:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:N:UNX:103:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:N:UNX:103:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:N:UNX:103:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:O:UNX:104:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:O:UNX:104:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:O:UNX:104:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:P:UNX:105:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:P:UNX:105:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:P:UNX:105:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:Q:UNX:106:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:Q:UNX:106:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:Q:UNX:106:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:T:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:T:UNX:96:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:T:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:U:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:U:UNX:97:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:U:UNX:97:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:V:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:V:UNX:98:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:V:UNX:98:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:W:UNX:99:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:W:UNX:99:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:X:UNX:94:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:X:UNX:94:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:Y:UNX:95:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:Y:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QBY:LIG:Z:UNX:96:.", "observed_other_component": false, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:Z:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QBY", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QJ6:LIG:D:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QJ6:LIG:D:UNX:95:.", "observed_other_component": false, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QJ6:LIG:D:UNX:95:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QJ6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QJ6:LIG:E:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3QJ6:LIG:E:UNX:96:.", "observed_other_component": false, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QJ6:LIG:E:UNX:96:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3QJ6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4FU6:LIG:F:UNX:205:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4FU6:LIG:F:UNX:205:.", "observed_other_component": false, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:F:UNX:205:.:SITE:UP:O75475:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4FU6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4FU6:LIG:G:UNX:206:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4FU6:LIG:G:UNX:206:.", "observed_other_component": false, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:G:UNX:206:.:SITE:UP:O75475:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4FU6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4FU6:LIG:H:UNX:207:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4FU6:LIG:H:UNX:207:.", "observed_other_component": false, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:H:UNX:207:.:SITE:UP:O75475:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4FU6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4FU6:LIG:I:UNX:208:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4FU6:LIG:I:UNX:208:.", "observed_other_component": false, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:I:UNX:208:.:SITE:UP:O75475:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4FU6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4FU6:LIG:J:UNX:209:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4FU6:LIG:J:UNX:209:.", "observed_other_component": false, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:J:UNX:209:.:SITE:UP:O75475:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4FU6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:C:UNX:3002:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:C:UNX:3002:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:C:UNX:3002:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:D:UNX:3003:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:D:UNX:3003:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:D:UNX:3003:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:E:UNX:3004:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:E:UNX:3004:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:E:UNX:3004:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:F:UNX:3005:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:F:UNX:3005:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:F:UNX:3005:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:G:UNX:3006:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:G:UNX:3006:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:G:UNX:3006:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4LD6:LIG:H:UNX:3007:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4LD6:LIG:H:UNX:3007:.", "observed_other_component": false, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:H:UNX:3007:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4LD6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:B:UNX:1101:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:B:UNX:1101:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:B:UNX:1101:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:C:UNX:1102:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:C:UNX:1102:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:C:UNX:1102:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:D:UNX:1103:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:D:UNX:1103:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:D:UNX:1103:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:E:UNX:1104:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:E:UNX:1104:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:E:UNX:1104:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:F:UNX:1105:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:F:UNX:1105:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:F:UNX:1105:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:G:UNX:1106:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:G:UNX:1106:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:G:UNX:1106:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:H:UNX:1107:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:H:UNX:1107:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:H:UNX:1107:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4RXJ:LIG:I:UNX:1108:.:SITE:UP:Q9BZ95:PWWP2:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4RXJ:LIG:I:UNX:1108:.", "observed_other_component": false, "pdb_id": "4RXJ", "protein_id": "UP:Q9BZ95", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4RXJ:LIG:I:UNX:1108:.:SITE:UP:Q9BZ95:PWWP2:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4RXJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:E:UNX:1103:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:E:UNX:1103:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:E:UNX:1103:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:F:UNX:1104:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:F:UNX:1104:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:F:UNX:1104:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:G:UNX:1105:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:G:UNX:1105:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:G:UNX:1105:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:H:UNX:1106:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:H:UNX:1106:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:H:UNX:1106:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:I:UNX:1107:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:I:UNX:1107:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:I:UNX:1107:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:J:UNX:1108:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:J:UNX:1108:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:J:UNX:1108:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:K:UNX:1109:.:SITE:UP:O95696:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:K:UNX:1109:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:K:UNX:1109:.:SITE:UP:O95696:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:M:UNX:1102:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:M:UNX:1102:.:SITE:UP:O95696:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:N:UNX:1103:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:N:UNX:1103:.:SITE:UP:O95696:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9", "domain_id": "UP:O95696:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4Z02:LIG:O:UNX:1104:.", "observed_other_component": false, "pdb_id": "4Z02", "protein_id": "UP:O95696", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4Z02:LIG:O:UNX:1104:.:SITE:UP:O95696:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/4Z02", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:E:UNX:1304:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:E:UNX:1304:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:E:UNX:1304:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:F:UNX:1305:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:F:UNX:1305:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:F:UNX:1305:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:G:UNX:1306:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:G:UNX:1306:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:G:UNX:1306:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:H:UNX:1307:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:H:UNX:1307:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:H:UNX:1307:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:I:UNX:1308:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:I:UNX:1308:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:I:UNX:1308:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:J:UNX:1309:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:J:UNX:1309:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:J:UNX:1309:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:K:UNX:1310:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:K:UNX:1310:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:K:UNX:1310:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:L:UNX:1311:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:L:UNX:1311:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:L:UNX:1311:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:M:UNX:1312:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:M:UNX:1312:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:M:UNX:1312:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:N:UNX:1313:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:N:UNX:1313:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:N:UNX:1313:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:O:UNX:1314:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:O:UNX:1314:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:O:UNX:1314:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:P:UNX:1315:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:P:UNX:1315:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:P:UNX:1315:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:Q:UNX:1316:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:Q:UNX:1316:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:Q:UNX:1316:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:R:UNX:1317:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:R:UNX:1317:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:R:UNX:1317:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5C6S:LIG:S:UNX:1318:.:SITE:UP:P55201:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5C6S:LIG:S:UNX:1318:.", "observed_other_component": false, "pdb_id": "5C6S", "protein_id": "UP:P55201", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5C6S:LIG:S:UNX:1318:.:SITE:UP:P55201:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5C6S", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:AA:UNX:401:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:AA:UNX:401:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:BA:UNX:402:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:BA:UNX:402:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:BA:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:CA:UNX:403:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:CA:UNX:403:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:DA:UNX:404:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:DA:UNX:404:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:EA:UNX:405:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:EA:UNX:405:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:EA:UNX:405:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:FA:UNX:406:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:FA:UNX:406:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:G:UNX:401:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:G:UNX:401:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:GA:UNX:407:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:GA:UNX:407:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:H:UNX:402:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:H:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:HA:UNX:408:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:HA:UNX:408:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:I:UNX:403:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:I:UNX:403:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:I:UNX:403:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:IA:UNX:409:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:IA:UNX:409:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:IA:UNX:409:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:J:UNX:404:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:J:UNX:404:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:JA:UNX:410:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:JA:UNX:410:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:K:UNX:405:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:K:UNX:405:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:K:UNX:405:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:KA:UNX:411:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:KA:UNX:411:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:L:UNX:406:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:L:UNX:406:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:LA:UNX:412:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:LA:UNX:412:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:LA:UNX:412:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:M:UNX:407:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:M:UNX:407:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:M:UNX:407:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:MA:UNX:413:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:MA:UNX:413:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:N:UNX:408:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:N:UNX:408:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:N:UNX:408:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:NA:UNX:414:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:NA:UNX:414:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:O:UNX:409:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:O:UNX:409:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:OA:UNX:415:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:OA:UNX:415:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:OA:UNX:415:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:P:UNX:410:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:P:UNX:410:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:P:UNX:410:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:PA:UNX:416:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:PA:UNX:416:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:Q:UNX:411:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:Q:UNX:411:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:QA:UNX:417:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:QA:UNX:417:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:R:UNX:412:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:R:UNX:412:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:R:UNX:412:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:RA:UNX:418:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:RA:UNX:418:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:RA:UNX:418:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:S:UNX:413:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:S:UNX:413:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:S:UNX:413:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:SA:UNX:419:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:SA:UNX:419:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:T:UNX:414:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:T:UNX:414:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:T:UNX:414:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:U:UNX:415:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:U:UNX:415:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:V:UNX:416:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:V:UNX:416:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:W:UNX:417:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:W:UNX:417:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:X:UNX:418:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:X:UNX:418:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:X:UNX:418:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:Y:UNX:419:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:Y:UNX:419:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5VC8:LIG:Z:UNX:420:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "5a69ef522042f0c3634099c1954524bc950bb23fc6a49c830dc77181b336efbf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5VC8:LIG:Z:UNX:420:.", "observed_other_component": false, "pdb_id": "5VC8", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5VC8:LIG:Z:UNX:420:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/5VC8", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6OQM:LIG:B:UNX:201:.:SITE:UP:P52701:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6OQM:LIG:B:UNX:201:.", "observed_other_component": false, "pdb_id": "6OQM", "protein_id": "UP:P52701", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6OQM:LIG:B:UNX:201:.:SITE:UP:P52701:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6OQM", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6OQM:LIG:H:UNX:207:.:SITE:UP:P52701:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6OQM:LIG:H:UNX:207:.", "observed_other_component": false, "pdb_id": "6OQM", "protein_id": "UP:P52701", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6OQM:LIG:H:UNX:207:.:SITE:UP:P52701:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6OQM", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6OQM:LIG:I:UNX:208:.:SITE:UP:P52701:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6OQM:LIG:I:UNX:208:.", "observed_other_component": false, "pdb_id": "6OQM", "protein_id": "UP:P52701", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6OQM:LIG:I:UNX:208:.:SITE:UP:P52701:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6OQM", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6OQM:LIG:J:UNX:209:.:SITE:UP:P52701:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a56fb9d51ad4436d3d8bd187a570af2e5abb25e5e52e2e3b8d472ba15d2dfed5", "domain_id": "UP:P52701:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6OQM:LIG:J:UNX:209:.", "observed_other_component": false, "pdb_id": "6OQM", "protein_id": "UP:P52701", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6OQM:LIG:J:UNX:209:.:SITE:UP:P52701:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6OQM", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:AA:UNX:2009:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:AA:UNX:2009:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:AB:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:AB:UNX:2002:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:BA:UNX:2010:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:BA:UNX:2010:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:BB:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:BB:UNX:2003:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:CA:UNX:2011:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:CA:UNX:2011:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:CA:UNX:2011:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:CB:UNX:2004:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:CB:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:CB:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:DA:UNX:2012:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:DA:UNX:2012:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:DA:UNX:2012:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:DB:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:DB:UNX:2005:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:EB:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:EB:UNX:2006:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:FA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:FA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:FB:UNX:2007:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:FB:UNX:2007:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:GA:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:GA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:GB:UNX:2008:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:GB:UNX:2008:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:HA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:HA:UNX:2004:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:HB:UNX:2009:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:HB:UNX:2009:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:HB:UNX:2009:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:IA:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:IA:UNX:2005:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:IB:UNX:2010:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:IB:UNX:2010:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:J:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:J:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:JA:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:JA:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:JB:UNX:2011:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:JB:UNX:2011:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:K:UNX:2003:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:K:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:K:UNX:2003:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:KB:UNX:2012:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:KB:UNX:2012:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:L:UNX:2004:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:L:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:L:UNX:2004:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:LA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:LA:UNX:2002:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:M:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:M:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:MA:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:MA:UNX:2003:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:MB:UNX:2002:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:MB:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:MB:UNX:2002:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:N:UNX:2006:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:N:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:N:UNX:2006:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:NA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:NA:UNX:2004:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:NB:UNX:2003:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:NB:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:NB:UNX:2003:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:O:UNX:2007:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:O:UNX:2007:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:O:UNX:2007:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:OB:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:OB:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:P:UNX:2008:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:P:UNX:2008:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:PA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:PA:UNX:2002:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:Q:UNX:2009:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:Q:UNX:2009:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:Q:UNX:2009:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:QA:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:QA:UNX:2003:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:R:UNX:2010:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:R:UNX:2010:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:R:UNX:2010:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:RA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:RA:UNX:2004:.:SITE:UP:O96028:PWWP1:H", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:SA:UNX:2005:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:SA:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:SA:UNX:2005:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:T:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:T:UNX:2002:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:TA:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:TA:UNX:2006:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:U:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:U:UNX:2003:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:V:UNX:2004:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:V:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:V:UNX:2004:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:VA:UNX:2002:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:VA:UNX:2002:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:W:UNX:2005:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:W:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:W:UNX:2005:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:WA:UNX:2003:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:WA:UNX:2003:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:X:UNX:2006:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:X:UNX:2006:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:XA:UNX:2004:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:XA:UNX:2004:.:SITE:UP:O96028:PWWP1:G", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:Y:UNX:2007:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:Y:UNX:2007:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:YA:UNX:2005:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:YA:UNX:2005:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6UE6:LIG:Z:UNX:2008:.", "observed_other_component": false, "pdb_id": "6UE6", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6UE6:LIG:Z:UNX:2008:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6UE6", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:F:UNX:402:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:F:UNX:402:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:F:UNX:402:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:G:UNX:403:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:G:UNX:403:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:B", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:H:UNX:404:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:H:UNX:404:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:J:UNX:402:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:K:UNX:403:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:K:UNX:403:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "2c370701c9b83de7ae6137f91d2130519a48c261a93ec5bc480dfcc3bc982200", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6XCG:LIG:L:UNX:404:.", "observed_other_component": false, "pdb_id": "6XCG", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6XCG:LIG:L:UNX:404:.:SITE:UP:O96028:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/6XCG", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "observed_other_component": false, "pdb_id": "7LMT", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7LMT", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7LMT:LIG:J:UNX:402:.", "observed_other_component": false, "pdb_id": "7LMT", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7LMT:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7LMT", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "observed_other_component": false, "pdb_id": "7LMT", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7LMT", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7LMT:LIG:O:UNX:402:.", "observed_other_component": false, "pdb_id": "7LMT", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7LMT:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7LMT", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "observed_other_component": false, "pdb_id": "7MDN", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:A", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7MDN", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7MDN:LIG:J:UNX:402:.", "observed_other_component": false, "pdb_id": "7MDN", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7MDN:LIG:J:UNX:402:.:SITE:UP:O96028:PWWP1:F", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7MDN", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "observed_other_component": false, "pdb_id": "7MDN", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7MDN", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/UNX", "chemical_id": "CCD_UNRESOLVED:UNX", "compound_id": "CCD_UNRESOLVED:UNX", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7MDN:LIG:O:UNX:402:.", "observed_other_component": false, "pdb_id": "7MDN", "protein_id": "UP:O96028", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7MDN:LIG:O:UNX:402:.:SITE:UP:O96028:PWWP1:E", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/7MDN", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "Unknown ligand" ], "assay_count": 0, "associated_pdb_ids": [ "3PMI" ], "bound_structure_count": 0, "category": "Deposited component / association", "chemical_id": "CCD_UNRESOLVED:UNL", "classifications": [ "Preparation identity unresolved" ], "compound_id": "CCD_UNRESOLVED:UNL", "curation_version": "phase5-1.0.0", "depiction": null, "development_status": "Not independently curated", "domain_ids": [], "entity_kind": "chemical_identity", "genes": [], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "Unknown ligand" ], "ccd_ids": [ "UNL" ], "ccd_names": "[\"Unknown ligand\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "CCD_UNRESOLVED:UNL", "connectivity_block": null, "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"UNL\": 0}", "formulae": "[\"\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "unresolved_CCD_placeholder", "inchikey": null, "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": null, "primary_name": "Unknown ligand", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"UNL\": null}", "source_metadata_sha256": "{\"UNL\": \"f91727dc27d44040c2c5e726a7110723cc036e4fff3424dbdd19981c4196299a\"}", "source_urls": [ "https://www.rcsb.org/ligand/UNL" ] }, "identity_note": "unresolved_CCD_placeholder", "identity_resolved": false, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "Unknown ligand", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 1, "preparation_count": 0, "preparation_ids": [], "protein_ids": [], "relationships": [], "relevant": false, "search_text": "unknown ligand ccd_unresolved:unl unknown ligand 3pmi {\"aliases\":[\"unknown ligand\"],\"ccd_ids\":[\"unl\"],\"ccd_names\":\"[\\\"unknown ligand\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"ccd_unresolved:unl\",\"connectivity_block\":null,\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"unl\\\": 0}\",\"formulae\":\"[\\\"\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"unresolved_ccd_placeholder\",\"inchikey\":null,\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":null,\"primary_name\":\"unknown ligand\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"unl\\\": null}\",\"source_metadata_sha256\":\"{\\\"unl\\\": \\\"f91727dc27d44040c2c5e726a7110723cc036e4fff3424dbdd19981c4196299a\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/unl\"]}", "source_urls": [ "https://www.rcsb.org/ligand/UNL" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4573, \"uniprot_position\": 419}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9096, \"uniprot_position\": 422}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9795, \"uniprot_position\": 425}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6637, \"uniprot_position\": 443}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0604, \"uniprot_position\": 445}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"456\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": 455}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3147, \"uniprot_position\": 481}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"485\", \"component\": \"ASP\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4737, \"uniprot_position\": 484}]", "biochemical_activity_inferred": 0, "ccd_id": "UNL", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4573, \"uniprot_position\": 419}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9096, \"uniprot_position\": 422}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9795, \"uniprot_position\": 425}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6637, \"uniprot_position\": 443}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0604, \"uniprot_position\": 445}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"456\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": 455}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3147, \"uniprot_position\": 481}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"485\", \"component\": \"ASP\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4737, \"uniprot_position\": 484}]", "chain_id": "PDB:3PMI:CHAIN:C:UP:Q2TAK8", "chemical_id": "CCD_UNRESOLVED:UNL", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4573, \"uniprot_position\": 419}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9096, \"uniprot_position\": 422}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9795, \"uniprot_position\": 425}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6637, \"uniprot_position\": 443}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0604, \"uniprot_position\": 445}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"456\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": 455}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "20", "ccd_id": "UNL", "chemical_id": "CCD_UNRESOLVED:UNL", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:3PMI:LIG:H:UNL:20:.", "nearest_polypeptide_distance_angstrom": 3.3147, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3PMI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4573, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9096, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9795, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6637, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0604, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"456\", \"component\": \"PHE\", \"entity_position\": 51, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.3147, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"485\", \"component\": \"ASP\", \"entity_position\": 80, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.4737, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP3A__HUMAN__Q2TAK8/Unclassified_Review/3PMI/original.cif", "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3PMI:LIG:H:UNL:20:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 3.3147, "minimum_chain_distance_angstrom": 3.3147, "minimum_core_distance_angstrom": 3.6637, "multiple_contacting_mapped_chains": 0, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C", "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 419}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8265, \"uniprot_position\": 422}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2728, \"uniprot_position\": 425}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7479, \"uniprot_position\": 443}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2546, \"uniprot_position\": 445}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3387, \"uniprot_position\": 481}]", "biochemical_activity_inferred": 0, "ccd_id": "UNL", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 419}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8265, \"uniprot_position\": 422}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2728, \"uniprot_position\": 425}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7479, \"uniprot_position\": 443}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2546, \"uniprot_position\": 445}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3387, \"uniprot_position\": 481}]", "chain_id": "PDB:3PMI:CHAIN:D:UP:Q2TAK8", "chemical_id": "CCD_UNRESOLVED:UNL", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 419}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8265, \"uniprot_position\": 422}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2728, \"uniprot_position\": 425}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7479, \"uniprot_position\": 443}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2546, \"uniprot_position\": 445}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "gene": "PWWP3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "21", "ccd_id": "UNL", "chemical_id": "CCD_UNRESOLVED:UNL", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 12, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:3PMI:LIG:I:UNL:21:.", "nearest_polypeptide_distance_angstrom": 3.2546, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3PMI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8265, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2728, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7479, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2546, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3387, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/PWWP3A__HUMAN__Q2TAK8/Unclassified_Review/3PMI/original.cif", "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "unique_heavy_atom_names": 12 }, "ligand_instance_id": "PDB:3PMI:LIG:I:UNL:21:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 3.2546, "minimum_chain_distance_angstrom": 3.2546, "minimum_core_distance_angstrom": 3.2546, "multiple_contacting_mapped_chains": 0, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "unknown chemical component", "role_category": "unknown", "site_id": "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D", "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 0, "context_pdb_count": 1, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "Association / verification pending", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 2, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": "CCD_UNRESOLVED:UNL", "compound_id": "CCD_UNRESOLVED:UNL", "entity_kind": "chemical_identity", "identity_resolved": false, "measured_observation_count": 0, "name": "Unknown ligand", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C", "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D" ], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 2, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/UNL", "chemical_id": "CCD_UNRESOLVED:UNL", "compound_id": "CCD_UNRESOLVED:UNL", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:H:UNL:20:.", "observed_other_component": false, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:H:UNL:20:.:SITE:UP:Q2TAK8:PWWP1:C", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3PMI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/UNL", "chemical_id": "CCD_UNRESOLVED:UNL", "compound_id": "CCD_UNRESOLVED:UNL", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:I:UNL:21:.", "observed_other_component": false, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "unknown_component", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:I:UNL:21:.:SITE:UP:Q2TAK8:PWWP1:D", "source_role": "unknown chemical component", "source_url": "https://www.rcsb.org/structure/3PMI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 }, { "aliases": [ "ZINC ION" ], "assay_count": 0, "associated_pdb_ids": [ "11NZ", "11OA", "11OH", "11OI", "3PFS", "4COS", "4N4G", "4N4H", "4N4I", "4NS5", "5B73", "5Y1Z", "7CRO", "7CRP", "7CRQ", "7CRR", "7OUF", "7OUG", "7OUH", "7PEL", "8EIH", "8EII", "8EIJ", "8EIK", "9E00", "9E05", "9E0F", "9E0G", "9E2D", "9E2Q", "9E2R", "9E3D", "9E3R", "9E3U", "9LQ1", "9MP0", "9MPO", "9MPP", "9PRW", "9Q7U", "9S28", "9S29", "9T2F", "9T2G", "9Y4P", "9Y61" ], "bound_structure_count": 10, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "classifications": [], "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "calculated_HBA": 0, "calculated_HBD": 0, "calculated_TPSA": 0.0, "calculated_formula": "Zn+2", "calculated_logP": -0.0025, "calculated_molecular_weight": 65.39, "computed_inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N", "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement", "files": { "dark": "1d062bf1026ebf430b2a-dark.svg", "light": "1d062bf1026ebf430b2a-light.svg" }, "rdkit_version": "2025.09.3", "status": "verified_smiles_full_inchikey_match" }, "development_status": "Not independently curated", "domain_ids": [ "UP:Q15326:PWWP1", "UP:Q8R5C8:PWWP1", "UP:Q9ULD4:PWWP1", "UP:Q9ULU4:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "BRPF3", "ZMYND11", "ZMYND8", "Zmynd11" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "ZINC ION" ], "ccd_ids": [ "ZN" ], "ccd_names": "[\"ZINC ION\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "connectivity_block": "PTFCDOFLOPIGGS", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"ZN\": 2}", "formulae": "[\"Zn\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "[Zn+2]", "primary_name": "ZINC ION", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"ZN\": \"[Zn+2]\"}", "source_metadata_sha256": "{\"ZN\": \"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\"}", "source_urls": [ "https://www.rcsb.org/ligand/ZN" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "ZINC ION", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 46, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:Q15326", "UP:Q8R5C8", "UP:Q9ULD4", "UP:Q9ULU4" ], "relationships": [], "relevant": false, "search_text": "zinc ion inchikey:ptfcdoflopiggs-uhfffaoysa-n zinc ion brpf3 zmynd11 zmynd8 zmynd11 up:q15326:pwwp1 up:q8r5c8:pwwp1 up:q9uld4:pwwp1 up:q9ulu4:pwwp1 11nz 11oa 11oh 11oi 3pfs 4cos 4n4g 4n4h 4n4i 4ns5 5b73 5y1z 7cro 7crp 7crq 7crr 7ouf 7oug 7ouh 7pel 8eih 8eii 8eij 8eik 9e00 9e05 9e0f 9e0g 9e2d 9e2q 9e2r 9e3d 9e3r 9e3u 9lq1 9mp0 9mpo 9mpp 9prw 9q7u 9s28 9s29 9t2f 9t2g 9y4p 9y61 {\"aliases\":[\"zinc ion\"],\"ccd_ids\":[\"zn\"],\"ccd_names\":\"[\\\"zinc ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:ptfcdoflopiggs-uhfffaoysa-n\",\"connectivity_block\":\"ptfcdoflopiggs\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"zn\\\": 2}\",\"formulae\":\"[\\\"zn\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"ptfcdoflopiggs-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"[zn+2]\",\"primary_name\":\"zinc ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"zn\\\": \\\"[zn+2]\\\"}\",\"source_metadata_sha256\":\"{\\\"zn\\\": \\\"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/zn\"]}", "source_urls": [ "https://www.rcsb.org/ligand/ZN" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": 549}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1968, \"uniprot_position\": 551}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": 554}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3417, \"uniprot_position\": 556}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3092, \"uniprot_position\": 583}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:AA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3092, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1968, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3417, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3092, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:AA:ZN:1004:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": 18.5658, "minimum_chain_distance_angstrom": 2.3092, "minimum_core_distance_angstrom": 19.5056, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 494}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2937, \"uniprot_position\": 496}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3149, \"uniprot_position\": 497}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.193, \"uniprot_position\": 499}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9866, \"uniprot_position\": 513}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": 514}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9164, \"uniprot_position\": 516}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:CA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3149, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2937, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3149, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.193, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9866, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9164, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:CA:ZN:1002:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": 5.2845, "minimum_chain_distance_angstrom": 2.3149, "minimum_core_distance_angstrom": 5.2845, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 537}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4306, \"uniprot_position\": 539}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3248, \"uniprot_position\": 540}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": 541}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2013, \"uniprot_position\": 542}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3167, \"uniprot_position\": 559}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:DA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3167, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4306, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3248, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.864, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2013, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3167, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:DA:ZN:1003:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 8.1552, "minimum_chain_distance_angstrom": 2.3167, "minimum_core_distance_angstrom": 8.1552, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": 549}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1983, \"uniprot_position\": 551}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": 554}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.344, \"uniprot_position\": 556}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.308, \"uniprot_position\": 583}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": 585}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:EA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.308, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1983, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.344, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.308, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:EA:ZN:1004:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": 18.6398, "minimum_chain_distance_angstrom": 2.308, "minimum_core_distance_angstrom": 19.4422, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 494}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6574, \"uniprot_position\": 496}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": 497}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8199, \"uniprot_position\": 498}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9693, \"uniprot_position\": 499}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 514}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:FA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3201, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6574, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8199, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9693, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:FA:ZN:1001:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3201, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 537}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6384, \"uniprot_position\": 539}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 540}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 559}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3216, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:GA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3216, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6384, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3216, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:GA:ZN:1002:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3216, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 549}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3207, \"uniprot_position\": 551}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 554}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8132, \"uniprot_position\": 555}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5061, \"uniprot_position\": 556}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9533, \"uniprot_position\": 582}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": 583}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3164, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:HA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3164, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3207, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8132, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5061, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9533, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3164, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:HA:ZN:1003:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3164, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": 494}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8379, \"uniprot_position\": 496}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 497}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9525, \"uniprot_position\": 498}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.1742, \"uniprot_position\": 499}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 514}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:KA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3201, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8379, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9525, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.1742, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:KA:ZN:1002:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3201, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3325, \"uniprot_position\": 537}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5456, \"uniprot_position\": 539}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 540}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3271, \"uniprot_position\": 559}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3237, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:LA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3237, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3325, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3271, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3237, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:LA:ZN:1003:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3237, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 494}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.304, \"uniprot_position\": 496}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": 497}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.92, \"uniprot_position\": 498}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6605, \"uniprot_position\": 499}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": 514}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:M:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3177, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.304, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.92, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6605, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:M:ZN:1002:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 7.1105, "minimum_chain_distance_angstrom": 2.3177, "minimum_core_distance_angstrom": 7.1105, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 549}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4456, \"uniprot_position\": 551}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": 554}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5365, \"uniprot_position\": 555}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2869, \"uniprot_position\": 556}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": 583}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:MA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3176, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5365, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2869, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:MA:ZN:1004:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3176, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": 537}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5255, \"uniprot_position\": 539}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": 540}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8216, \"uniprot_position\": 541}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3153, \"uniprot_position\": 542}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": 559}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:N:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3201, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5255, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8216, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3153, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3201, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:N:ZN:1003:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 8.4555, "minimum_chain_distance_angstrom": 2.3201, "minimum_core_distance_angstrom": 8.4555, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": 549}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6154, \"uniprot_position\": 551}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 554}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7626, \"uniprot_position\": 555}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1457, \"uniprot_position\": 556}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": 583}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7786, \"uniprot_position\": 585}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:O:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3218, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6154, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7626, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1457, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7786, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:O:ZN:1004:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": 19.5949, "minimum_chain_distance_angstrom": 2.3218, "minimum_core_distance_angstrom": 20.4625, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": 494}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.1239, \"uniprot_position\": 496}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3187, \"uniprot_position\": 497}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.3837, \"uniprot_position\": 499}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": 514}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:OA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3187, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.1239, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3187, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.3837, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:OA:ZN:1002:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": 7.2443, "minimum_chain_distance_angstrom": 2.3187, "minimum_core_distance_angstrom": 7.2443, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:OA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": 494}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8413, \"uniprot_position\": 496}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": 497}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9068, \"uniprot_position\": 498}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1563, \"uniprot_position\": 499}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 514}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3187, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:P:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3187, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8413, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9068, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1563, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3187, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:P:ZN:1001:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3187, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 537}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7094, \"uniprot_position\": 539}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 540}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8439, \"uniprot_position\": 541}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.533, \"uniprot_position\": 542}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 559}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:PA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3222, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7094, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8439, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.533, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:PA:ZN:1003:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": 8.6631, "minimum_chain_distance_angstrom": 2.3222, "minimum_core_distance_angstrom": 8.6631, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:PA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": 537}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5709, \"uniprot_position\": 539}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 540}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": 559}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:Q:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3234, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5709, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:Q:ZN:1002:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3234, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": 549}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": 551}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 554}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7119, \"uniprot_position\": 555}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4005, \"uniprot_position\": 556}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": 583}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.9325, \"uniprot_position\": 585}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:QA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3242, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7916, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.7119, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.4005, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.9325, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:QA:ZN:1004:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": 19.6255, "minimum_chain_distance_angstrom": 2.3242, "minimum_core_distance_angstrom": 20.4012, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": 549}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4595, \"uniprot_position\": 551}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 554}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.666, \"uniprot_position\": 555}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4331, \"uniprot_position\": 556}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8865, \"uniprot_position\": 582}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": 583}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:R:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3177, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4595, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.666, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4331, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8865, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:R:ZN:1003:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3177, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6316, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8084, \"uniprot_position\": 498}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8596, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:T:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3199, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6316, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8084, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8596, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:T:ZN:1001:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3199, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6236, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3281, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:U:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3224, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6236, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3281, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:U:ZN:1002:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3224, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2004, \"uniprot_position\": 551}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8361, \"uniprot_position\": 555}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": 556}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8658, \"uniprot_position\": 582}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3081, \"uniprot_position\": 586}]", "chain_id": "PDB:11NZ:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:V:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3081, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2004, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8361, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2059, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8658, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3081, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:V:ZN:1003:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3081, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 494}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3888, \"uniprot_position\": 496}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": 497}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1564, \"uniprot_position\": 499}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8634, \"uniprot_position\": 513}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": 514}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9789, \"uniprot_position\": 516}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": 517}]", "chain_id": "PDB:11NZ:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:Y:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3176, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3888, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1564, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8634, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9789, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:Y:ZN:1002:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": 5.3705, "minimum_chain_distance_angstrom": 2.3176, "minimum_core_distance_angstrom": 5.3705, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 537}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4922, \"uniprot_position\": 539}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3229, \"uniprot_position\": 540}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9111, \"uniprot_position\": 541}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1534, \"uniprot_position\": 542}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3174, \"uniprot_position\": 559}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 562}]", "chain_id": "PDB:11NZ:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:11NZ:LIG:Z:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3174, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11NZ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4922, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3229, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9111, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1534, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3174, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11NZ:LIG:Z:ZN:1003:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": 8.0173, "minimum_chain_distance_angstrom": 2.3174, "minimum_core_distance_angstrom": 8.0173, "multiple_contacting_mapped_chains": 0, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.331, \"uniprot_position\": 537}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.5473, \"uniprot_position\": 539}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 540}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 559}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:AB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3249, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.331, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.5473, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:AB:ZN:1003:.", "ligand_label_asym_id": "AB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3249, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:AB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": 494}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0807, \"uniprot_position\": 496}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 497}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9462, \"uniprot_position\": 498}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.826, \"uniprot_position\": 513}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 514}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3222, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0807, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9462, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.826, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": 8.0735, "minimum_chain_distance_angstrom": 2.3222, "minimum_core_distance_angstrom": 8.0735, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": 549}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.5009, \"uniprot_position\": 551}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": 554}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8463, \"uniprot_position\": 555}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.3044, \"uniprot_position\": 556}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8825, \"uniprot_position\": 582}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 583}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.2787, \"uniprot_position\": 585}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:BB:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3224, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.5009, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8463, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.3044, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.8825, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.2787, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:BB:ZN:1004:.", "ligand_label_asym_id": "BB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3224, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": 537}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3938, \"uniprot_position\": 539}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": 540}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8958, \"uniprot_position\": 541}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3005, \"uniprot_position\": 542}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": 559}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3161, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3938, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8958, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3005, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": 9.086, "minimum_chain_distance_angstrom": 2.3161, "minimum_core_distance_angstrom": 9.086, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3384, \"uniprot_position\": 494}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.7445, \"uniprot_position\": 496}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": 497}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.7143, \"uniprot_position\": 498}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.2538, \"uniprot_position\": 499}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.9396, \"uniprot_position\": 513}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3367, \"uniprot_position\": 514}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:J:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"J\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"J\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:CB:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.324, "nearest_polypeptide_label_asym_id": "J", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3384, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.7445, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3246, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.7143, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.2538, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.9396, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3367, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:CB:ZN:1001:.", "ligand_label_asym_id": "CB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.324, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "J", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 549}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8989, \"uniprot_position\": 551}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": 554}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6349, \"uniprot_position\": 555}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1949, \"uniprot_position\": 556}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": 583}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": 585}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:DA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3199, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8989, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6349, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1949, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:DA:ZN:1004:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 19.5523, "minimum_chain_distance_angstrom": 2.3199, "minimum_core_distance_angstrom": 20.1313, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": 537}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4721, \"uniprot_position\": 539}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.331, \"uniprot_position\": 540}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 559}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:J:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"J\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"J\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:DB:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3242, "nearest_polypeptide_label_asym_id": "J", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4721, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.331, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:DB:ZN:1002:.", "ligand_label_asym_id": "DB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3242, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "J", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:DB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.317, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:EA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.317, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5588, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3223, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.621, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.317, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:EA:ZN:1001:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.317, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3348, \"uniprot_position\": 549}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4217, \"uniprot_position\": 551}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": 554}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4581, \"uniprot_position\": 556}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 583}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:J:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"J\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"J\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:EB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3242, "nearest_polypeptide_label_asym_id": "J", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"J\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3348, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4217, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 4.4581, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}, {\"auth_asym_id\": \"J\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"J\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:EB:ZN:1003:.", "ligand_label_asym_id": "EB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3242, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "J", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:EB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5667, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3214, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8115, \"uniprot_position\": 541}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3233, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"561\", \"component\": \"GLU\", \"entity_position\": 282, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9835, \"uniprot_position\": 561}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:FA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3214, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5667, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3214, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8115, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3233, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"561\", \"component\": \"GLU\", \"entity_position\": 282, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9835, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:FA:ZN:1002:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3214, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0938, \"uniprot_position\": 551}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8799, \"uniprot_position\": 555}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9112, \"uniprot_position\": 556}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": 582}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3133, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:GA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3133, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0938, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8799, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9112, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3133, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:GA:ZN:1003:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3133, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": 494}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7583, \"uniprot_position\": 496}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 497}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7654, \"uniprot_position\": 498}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.0811, \"uniprot_position\": 499}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 514}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3243, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:HB:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3243, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7583, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7654, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.0811, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3243, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:HB:ZN:1001:.", "ligand_label_asym_id": "HB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3243, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": 494}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6891, \"uniprot_position\": 496}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 497}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8908, \"uniprot_position\": 498}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": 499}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 514}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3165, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:IA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3165, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.326, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6891, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8908, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.5823, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3165, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:IA:ZN:1001:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3165, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.5183, \"uniprot_position\": 539}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": 540}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": 559}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:IB:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3244, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.5183, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:IB:ZN:1002:.", "ligand_label_asym_id": "IB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3244, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 537}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5203, \"uniprot_position\": 539}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3189, \"uniprot_position\": 540}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.83, \"uniprot_position\": 541}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": 559}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:JA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3176, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5203, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3189, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.83, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:JA:ZN:1002:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3176, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.343, \"uniprot_position\": 549}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6255, \"uniprot_position\": 551}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": 554}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7016, \"uniprot_position\": 555}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.2065, \"uniprot_position\": 556}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.8404, \"uniprot_position\": 582}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3305, \"uniprot_position\": 583}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.8324, \"uniprot_position\": 585}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:JB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3242, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.343, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6255, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7016, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.2065, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.8404, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3305, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.8324, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:JB:ZN:1003:.", "ligand_label_asym_id": "JB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3242, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": 549}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4492, \"uniprot_position\": 551}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 554}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7381, \"uniprot_position\": 555}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2334, \"uniprot_position\": 556}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3231, \"uniprot_position\": 583}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:KA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3176, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4492, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7381, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.2334, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3231, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3176, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:KA:ZN:1003:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3176, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 494}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3189, \"uniprot_position\": 496}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": 497}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4106, \"uniprot_position\": 498}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4728, \"uniprot_position\": 499}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3329, \"uniprot_position\": 514}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:MB:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.32, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3189, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4106, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4728, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3329, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:MB:ZN:1002:.", "ligand_label_asym_id": "MB", "minimum_Pfam_distance_angstrom": 7.6234, "minimum_chain_distance_angstrom": 2.32, "minimum_core_distance_angstrom": 7.6234, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:MB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": 494}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0945, \"uniprot_position\": 496}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3162, \"uniprot_position\": 497}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6151, \"uniprot_position\": 498}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1968, \"uniprot_position\": 499}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": 514}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3168, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:NA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3162, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0945, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3162, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6151, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1968, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3168, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:NA:ZN:1002:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": 7.2696, "minimum_chain_distance_angstrom": 2.3162, "minimum_core_distance_angstrom": 7.2696, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": 537}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3543, \"uniprot_position\": 539}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3207, \"uniprot_position\": 540}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.9342, \"uniprot_position\": 541}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.7584, \"uniprot_position\": 542}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": 559}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:NB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3161, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3543, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3207, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.9342, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.7584, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3161, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:NB:ZN:1003:.", "ligand_label_asym_id": "NB", "minimum_Pfam_distance_angstrom": 8.0894, "minimum_chain_distance_angstrom": 2.3161, "minimum_core_distance_angstrom": 8.0894, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:NB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 537}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4056, \"uniprot_position\": 539}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3178, \"uniprot_position\": 540}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7165, \"uniprot_position\": 541}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3519, \"uniprot_position\": 542}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3112, \"uniprot_position\": 559}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:OA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3112, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4056, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3178, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7165, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3519, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3112, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:OA:ZN:1003:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": 8.5879, "minimum_chain_distance_angstrom": 2.3112, "minimum_core_distance_angstrom": 8.5879, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 549}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8319, \"uniprot_position\": 551}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 554}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5929, \"uniprot_position\": 555}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4646, \"uniprot_position\": 556}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 583}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.7201, \"uniprot_position\": 585}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:OB:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3263, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8319, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5929, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.4646, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.7201, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:OB:ZN:1004:.", "ligand_label_asym_id": "OB", "minimum_Pfam_distance_angstrom": 19.1067, "minimum_chain_distance_angstrom": 2.3263, "minimum_core_distance_angstrom": 19.5407, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:OB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3259, \"uniprot_position\": 549}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4127, \"uniprot_position\": 551}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3245, \"uniprot_position\": 554}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7793, \"uniprot_position\": 555}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3432, \"uniprot_position\": 556}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": 583}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7753, \"uniprot_position\": 585}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3271, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:PA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3245, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3259, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4127, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3245, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7793, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3432, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.7753, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3271, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:PA:ZN:1004:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": 19.5892, "minimum_chain_distance_angstrom": 2.3245, "minimum_core_distance_angstrom": 19.8199, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": 494}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.1684, \"uniprot_position\": 496}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 497}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9649, \"uniprot_position\": 498}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.5497, \"uniprot_position\": 499}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": 514}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:QB:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3244, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.1684, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.9649, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.5497, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:QB:ZN:1002:.", "ligand_label_asym_id": "QB", "minimum_Pfam_distance_angstrom": 7.5525, "minimum_chain_distance_angstrom": 2.3244, "minimum_core_distance_angstrom": 7.5525, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:QB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": 494}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2886, \"uniprot_position\": 496}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": 497}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9471, \"uniprot_position\": 498}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.4745, \"uniprot_position\": 499}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": 514}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3207, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "RA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:RA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3173, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2886, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9471, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.4745, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3207, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:RA:ZN:1002:.", "ligand_label_asym_id": "RA", "minimum_Pfam_distance_angstrom": 6.5403, "minimum_chain_distance_angstrom": 2.3173, "minimum_core_distance_angstrom": 6.5403, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": 537}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.3883, \"uniprot_position\": 539}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3194, \"uniprot_position\": 540}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.8941, \"uniprot_position\": 541}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.6056, \"uniprot_position\": 542}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3172, \"uniprot_position\": 559}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "RB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:RB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3172, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.3883, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3194, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.8941, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.6056, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3172, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:RB:ZN:1003:.", "ligand_label_asym_id": "RB", "minimum_Pfam_distance_angstrom": 8.3603, "minimum_chain_distance_angstrom": 2.3172, "minimum_core_distance_angstrom": 8.3603, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:RB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 494}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7354, \"uniprot_position\": 496}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3253, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8235, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6108, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9038, \"uniprot_position\": 513}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3319, \"uniprot_position\": 514}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:S:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3253, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7354, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3253, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8235, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6108, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9038, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3319, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:S:ZN:1001:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3253, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3336, \"uniprot_position\": 537}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2349, \"uniprot_position\": 539}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3205, \"uniprot_position\": 540}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": 541}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3805, \"uniprot_position\": 542}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3135, \"uniprot_position\": 559}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:SA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3135, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3336, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.2349, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3205, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3805, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3135, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3234, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:SA:ZN:1003:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 7.801, "minimum_chain_distance_angstrom": 2.3135, "minimum_core_distance_angstrom": 7.801, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": 549}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.4984, \"uniprot_position\": 551}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 554}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.501, \"uniprot_position\": 555}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.3685, \"uniprot_position\": 556}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 583}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7451, \"uniprot_position\": 585}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:SB:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3272, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.4984, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.501, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.3685, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.7451, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:SB:ZN:1004:.", "ligand_label_asym_id": "SB", "minimum_Pfam_distance_angstrom": 19.2291, "minimum_chain_distance_angstrom": 2.3272, "minimum_core_distance_angstrom": 19.4268, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:SB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": 537}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4453, \"uniprot_position\": 539}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3319, \"uniprot_position\": 540}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 559}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:T:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.328, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4453, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3319, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:T:ZN:1002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.328, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": 549}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": 551}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3237, \"uniprot_position\": 554}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7055, \"uniprot_position\": 555}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9724, \"uniprot_position\": 556}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3127, \"uniprot_position\": 583}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3235, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"G\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:TA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3127, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.613, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3237, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.7055, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9724, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3127, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.3235, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:TA:ZN:1004:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 19.7648, "minimum_chain_distance_angstrom": 2.3127, "minimum_core_distance_angstrom": 20.0574, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": 494}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.7468, \"uniprot_position\": 496}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 497}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.9276, \"uniprot_position\": 498}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.0808, \"uniprot_position\": 499}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3332, \"uniprot_position\": 514}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:P:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"P\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"P\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:TB:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3251, "nearest_polypeptide_label_asym_id": "P", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.7468, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.9276, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.0808, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3332, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:TB:ZN:1001:.", "ligand_label_asym_id": "TB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3251, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "P", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": 549}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4548, \"uniprot_position\": 551}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 554}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4382, \"uniprot_position\": 556}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": 582}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": 583}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:U:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3222, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4548, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4382, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9847, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:U:ZN:1003:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3222, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": 494}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6715, \"uniprot_position\": 496}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": 497}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7313, \"uniprot_position\": 498}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.9575, \"uniprot_position\": 499}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": 514}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:UA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.321, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.6715, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7313, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.9575, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:UA:ZN:1001:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.321, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.4494, \"uniprot_position\": 539}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3318, \"uniprot_position\": 540}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 559}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:P:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"P\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"P\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:UB:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3251, "nearest_polypeptide_label_asym_id": "P", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.4494, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3318, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:UB:ZN:1002:.", "ligand_label_asym_id": "UB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3251, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "P", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:UB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3328, \"uniprot_position\": 537}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.762, \"uniprot_position\": 539}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 540}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7795, \"uniprot_position\": 541}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 559}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "VA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:VA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3222, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3328, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.762, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7795, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:VA:ZN:1002:.", "ligand_label_asym_id": "VA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3222, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": 549}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.5744, \"uniprot_position\": 551}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 554}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.7851, \"uniprot_position\": 555}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.3227, \"uniprot_position\": 556}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.9055, \"uniprot_position\": 582}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 583}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.8176, \"uniprot_position\": 585}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:P:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"P\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"P\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "VB", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:VB:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3275, "nearest_polypeptide_label_asym_id": "P", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"P\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.5744, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.7851, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.3227, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.9055, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 4.8176, \"uniprot_position\": null}, {\"auth_asym_id\": \"P\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"P\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:VB:ZN:1003:.", "ligand_label_asym_id": "VB", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3275, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "P", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:VB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": 494}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7031, \"uniprot_position\": 496}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 497}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8063, \"uniprot_position\": 498}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0969, \"uniprot_position\": 499}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7444, \"uniprot_position\": 513}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3351, \"uniprot_position\": 514}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:W:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3264, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7031, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8063, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0969, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7444, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3351, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:W:ZN:1001:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3264, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3368, \"uniprot_position\": 549}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4311, \"uniprot_position\": 551}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": 554}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8328, \"uniprot_position\": 555}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.3621, \"uniprot_position\": 556}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8029, \"uniprot_position\": 582}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 583}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4781, \"uniprot_position\": 585}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3131, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"H\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "WA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:WA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3131, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3368, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4311, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8328, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.3621, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8029, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4781, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.3131, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:WA:ZN:1003:.", "ligand_label_asym_id": "WA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3131, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:WA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": 537}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5329, \"uniprot_position\": 539}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 540}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": 559}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3257, \"uniprot_position\": 562}]", "chain_id": "PDB:11OA:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:X:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3247, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5329, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3257, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:X:ZN:1002:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3247, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": 549}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3695, \"uniprot_position\": 551}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 554}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8841, \"uniprot_position\": 555}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.486, \"uniprot_position\": 556}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": 583}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4753, \"uniprot_position\": 585}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": 586}]", "chain_id": "PDB:11OA:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:Y:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3199, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3695, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8841, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.486, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3251, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4753, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3199, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:Y:ZN:1003:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3199, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3261, \"uniprot_position\": 494}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.9638, \"uniprot_position\": 496}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 497}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.889, \"uniprot_position\": 498}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.826, \"uniprot_position\": 499}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": 514}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": 517}]", "chain_id": "PDB:11OA:CHAIN:I:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"I\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "ZA", "label_seq_id": null, "ligand_instance_id": "PDB:11OA:LIG:ZA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3208, "nearest_polypeptide_label_asym_id": "I", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3261, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.9638, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 4.889, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 3.826, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"I\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OA:LIG:ZA:ZN:1002:.", "ligand_label_asym_id": "ZA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3208, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "I", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OA:LIG:ZA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": 494}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6745, \"uniprot_position\": 496}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 497}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6442, \"uniprot_position\": 498}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9895, \"uniprot_position\": 499}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": 514}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 517}]", "chain_id": "PDB:11OH:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:F:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.323, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6745, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6442, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9895, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:F:ZN:1002:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.323, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": 539}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 540}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 559}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": 562}]", "chain_id": "PDB:11OH:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:G:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3236, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7723, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:G:ZN:1003:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3236, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 549}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3219, \"uniprot_position\": 551}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 554}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4747, \"uniprot_position\": 556}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7313, \"uniprot_position\": 582}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 583}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": 586}]", "chain_id": "PDB:11OH:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:H:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.321, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3219, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4747, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7313, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:H:ZN:1004:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.321, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5979, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.314, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7147, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": 517}]", "chain_id": "PDB:11OH:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:J:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.314, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5979, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.314, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7147, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.32, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:J:ZN:1002:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 7.1205, "minimum_chain_distance_angstrom": 2.314, "minimum_core_distance_angstrom": 7.1205, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0997, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3212, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7767, \"uniprot_position\": 541}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5924, \"uniprot_position\": 542}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3119, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": 562}]", "chain_id": "PDB:11OH:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:K:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3119, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0997, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3212, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7767, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5924, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3119, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:K:ZN:1003:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 6.7112, "minimum_chain_distance_angstrom": 2.3119, "minimum_core_distance_angstrom": 6.7112, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": 551}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.37, \"uniprot_position\": 556}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": 586}]", "chain_id": "PDB:11OH:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:L:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3226, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9155, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.37, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:L:ZN:1004:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 17.2892, "minimum_chain_distance_angstrom": 2.3226, "minimum_core_distance_angstrom": 19.9642, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3307, \"uniprot_position\": 494}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5039, \"uniprot_position\": 496}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": 497}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7477, \"uniprot_position\": 498}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5724, \"uniprot_position\": 499}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": 514}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 517}]", "chain_id": "PDB:11OH:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:N:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3236, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3307, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5039, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7477, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5724, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:N:ZN:1002:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3236, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": 537}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.563, \"uniprot_position\": 539}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": 540}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7983, \"uniprot_position\": 541}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": 559}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 562}]", "chain_id": "PDB:11OH:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:O:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3249, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.563, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7983, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:O:ZN:1003:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3249, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3355, \"uniprot_position\": 549}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4144, \"uniprot_position\": 551}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 554}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4088, \"uniprot_position\": 556}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7216, \"uniprot_position\": 582}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": 583}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3212, \"uniprot_position\": 586}]", "chain_id": "PDB:11OH:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:11OH:LIG:P:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3212, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3355, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4144, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4088, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7216, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3212, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OH/original.cif", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OH:LIG:P:ZN:1004:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3212, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 494}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6958, \"uniprot_position\": 496}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3089, \"uniprot_position\": 497}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.696, \"uniprot_position\": 499}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8394, \"uniprot_position\": 513}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 514}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9522, \"uniprot_position\": 516}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3134, \"uniprot_position\": 517}]", "chain_id": "PDB:11OI:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:H:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3089, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6958, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3089, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.696, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8394, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9522, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3134, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:H:ZN:1002:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 6.849, "minimum_chain_distance_angstrom": 2.3089, "minimum_core_distance_angstrom": 6.849, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": 537}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0729, \"uniprot_position\": 539}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3094, \"uniprot_position\": 540}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5861, \"uniprot_position\": 541}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8113, \"uniprot_position\": 542}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2862, \"uniprot_position\": 559}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3231, \"uniprot_position\": 562}]", "chain_id": "PDB:11OI:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:I:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2862, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0729, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3094, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5861, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8113, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2862, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3231, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:I:ZN:1003:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": 6.8012, "minimum_chain_distance_angstrom": 2.2862, "minimum_core_distance_angstrom": 6.8012, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3111, \"uniprot_position\": 549}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8086, \"uniprot_position\": 551}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3157, \"uniprot_position\": 554}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4405, \"uniprot_position\": 556}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3061, \"uniprot_position\": 583}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9706, \"uniprot_position\": 585}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3105, \"uniprot_position\": 586}]", "chain_id": "PDB:11OI:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:J:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3061, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3111, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8086, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3157, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4405, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3061, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 306, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9706, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3105, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:J:ZN:1004:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": 17.1349, "minimum_chain_distance_angstrom": 2.3061, "minimum_core_distance_angstrom": 19.5037, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3273, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5786, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8464, \"uniprot_position\": 498}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6694, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3209, \"uniprot_position\": 517}]", "chain_id": "PDB:11OI:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:L:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3209, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3273, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5786, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8464, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6694, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3209, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:L:ZN:1002:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3209, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1871, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9008, \"uniprot_position\": 541}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3342, \"uniprot_position\": 562}]", "chain_id": "PDB:11OI:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:M:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3272, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1871, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9008, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3342, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:M:ZN:1003:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3272, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3271, \"uniprot_position\": 551}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9564, \"uniprot_position\": 555}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3631, \"uniprot_position\": 556}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6026, \"uniprot_position\": 582}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": 586}]", "chain_id": "PDB:11OI:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:N:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3166, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3271, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"555\", \"component\": \"CYS\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9564, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3631, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6026, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:N:ZN:1004:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3166, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3347, \"uniprot_position\": 494}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6113, \"uniprot_position\": 496}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6311, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5694, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": 514}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 517}]", "chain_id": "PDB:11OI:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:P:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3232, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3347, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6113, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6311, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5694, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:P:ZN:1002:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3232, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3464, \"uniprot_position\": 537}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3336, \"uniprot_position\": 539}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": 540}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3339, \"uniprot_position\": 559}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 562}]", "chain_id": "PDB:11OI:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:Q:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3339, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3464, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3336, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3339, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:Q:ZN:1003:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3339, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": 549}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3437, \"uniprot_position\": 551}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 554}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4325, \"uniprot_position\": 556}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": 582}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": 583}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 586}]", "chain_id": "PDB:11OI:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:R:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3263, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3437, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4325, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.751, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:R:ZN:1004:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3263, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3159, \"uniprot_position\": 494}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6717, \"uniprot_position\": 496}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3025, \"uniprot_position\": 497}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9483, \"uniprot_position\": 498}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9603, \"uniprot_position\": 513}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": 514}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.951, \"uniprot_position\": 516}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3165, \"uniprot_position\": 517}]", "chain_id": "PDB:11OI:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:T:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3025, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3159, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6717, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3025, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9483, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9603, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 237, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.951, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3165, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:T:ZN:1002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 7.6544, "minimum_chain_distance_angstrom": 2.3025, "minimum_core_distance_angstrom": 7.6544, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": 537}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2339, \"uniprot_position\": 539}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 540}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.537, \"uniprot_position\": 541}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9014, \"uniprot_position\": 542}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.311, \"uniprot_position\": 559}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": 562}]", "chain_id": "PDB:11OI:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:U:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.311, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.2339, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.537, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9014, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.311, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3272, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:U:ZN:1003:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": 9.2913, "minimum_chain_distance_angstrom": 2.311, "minimum_core_distance_angstrom": 9.2913, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 549}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4794, \"uniprot_position\": 551}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": 554}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0329, \"uniprot_position\": 556}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": 583}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3132, \"uniprot_position\": 586}]", "chain_id": "PDB:11OI:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:11OI:LIG:V:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3132, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "11OI", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4794, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0329, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.3132, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OI/original.cif", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:11OI:LIG:V:ZN:1004:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 19.5811, "minimum_chain_distance_angstrom": 2.3132, "minimum_core_distance_angstrom": 20.5129, "multiple_contacting_mapped_chains": 0, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]", "chain_id": "PDB:3PFS:CHAIN:A:UP:Q9ULD4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1200", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain and PHD finger-containing protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 158, \"uniprot_ids\": [\"Q9ULD4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.", "nearest_polypeptide_distance_angstrom": 2.2127, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3PFS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF3__HUMAN__Q9ULD4/APO/3PFS/original.cif", "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.2127, "minimum_chain_distance_angstrom": 2.2127, "minimum_core_distance_angstrom": 2.2127, "multiple_contacting_mapped_chains": 0, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A", "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.1314, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7336, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7967, \"uniprot_position\": 1146}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.1314, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7336, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7967, \"uniprot_position\": 1146}]", "chain_id": "PDB:3PFS:CHAIN:B:UP:Q9ULD4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.1314, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7336, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7967, \"uniprot_position\": 1146}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "gene": "BRPF3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "1200", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Bromodomain and PHD finger-containing protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 158, \"uniprot_ids\": [\"Q9ULD4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.", "nearest_polypeptide_distance_angstrom": 2.1314, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "3PFS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.1314, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7336, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7967, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/BRPF3__HUMAN__Q9ULD4/APO/3PFS/original.cif", "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.1314, "minimum_chain_distance_angstrom": 2.1314, "minimum_core_distance_angstrom": 2.1314, "multiple_contacting_mapped_chains": 0, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B", "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4752, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]", "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": 278}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1400", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.", "nearest_polypeptide_distance_angstrom": 2.0731, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4COS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3166, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4752, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0731, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/4COS/original.cif", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.0731, "minimum_chain_distance_angstrom": 2.0731, "minimum_core_distance_angstrom": 2.0731, "multiple_contacting_mapped_chains": 0, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.319, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.594, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.285, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0977, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": 114}]", "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1401", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.", "nearest_polypeptide_distance_angstrom": 2.0977, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4COS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.319, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.285, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0977, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/4COS/original.cif", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 25.9496, "minimum_chain_distance_angstrom": 2.0977, "minimum_core_distance_angstrom": 25.9496, "multiple_contacting_mapped_chains": 0, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 103}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.625, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2845, \"uniprot_position\": 106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6198, \"uniprot_position\": 108}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"PHE\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8942, \"uniprot_position\": 126}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2993, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": 130}]", "chain_id": "PDB:4COS:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1402", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"PROTEIN KINASE C-BINDING PROTEIN 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:4COS:LIG:D:ZN:1402:.", "nearest_polypeptide_distance_angstrom": 2.2845, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4COS", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.625, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2845, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6198, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"PHE\", \"entity_position\": 46, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8942, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2993, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/4COS/original.cif", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4COS:LIG:D:ZN:1402:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 24.1956, "minimum_chain_distance_angstrom": 2.2845, "minimum_core_distance_angstrom": 24.1956, "multiple_contacting_mapped_chains": 0, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2426, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6411, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2633, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3665, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]", "chain_id": "PDB:4N4G:CHAIN:A:UP:Q8R5C8", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "gene": "Zmynd11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.", "nearest_polypeptide_distance_angstrom": 2.0336, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4N4G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2426, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6411, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2633, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3665, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/APO/4N4G/original.cif", "source_coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.0336, "minimum_chain_distance_angstrom": 2.0336, "minimum_core_distance_angstrom": 2.0336, "multiple_contacting_mapped_chains": 0, "pdb_id": "4N4G", "protein_id": "UP:Q8R5C8", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2957, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6455, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3882, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]", "chain_id": "PDB:4N4H:CHAIN:A:UP:Q8R5C8", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "gene": "Zmynd11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.", "nearest_polypeptide_distance_angstrom": 2.0243, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4N4H", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2957, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6455, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3882, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4H/original.cif", "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.0243, "minimum_chain_distance_angstrom": 2.0243, "minimum_core_distance_angstrom": 2.0243, "multiple_contacting_mapped_chains": 0, "pdb_id": "4N4H", "protein_id": "UP:Q8R5C8", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2419, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.639, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3086, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3888, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]", "chain_id": "PDB:4N4I:CHAIN:A:UP:Q8R5C8", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "gene": "Zmynd11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.", "nearest_polypeptide_distance_angstrom": 2.1006, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4N4I", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2419, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.639, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3086, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3888, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4I/original.cif", "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 2.1006, "minimum_chain_distance_angstrom": 2.1006, "minimum_core_distance_angstrom": 2.1006, "multiple_contacting_mapped_chains": 0, "pdb_id": "4N4I", "protein_id": "UP:Q8R5C8", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0994, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9559, \"uniprot_position\": 299}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2492, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5739, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.233, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3604, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0994, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9559, \"uniprot_position\": 299}]", "chain_id": "PDB:4NS5:CHAIN:A:UP:Q15326", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0994, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9559, \"uniprot_position\": 299}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q15326:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND11", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "401", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 227, \"uniprot_ids\": [\"Q15326\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:4NS5:LIG:B:ZN:401:.", "nearest_polypeptide_distance_angstrom": 2.0994, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "4NS5", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2492, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5739, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.233, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3604, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0994, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 147, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9559, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND11__HUMAN__Q15326/APO/4NS5/original.cif", "source_coordinate_sha256": "d6f35d5c06ce150fc8a1c9203a1545c94d50bd5caef6a08db95ea73a7fa89876", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:4NS5:LIG:B:ZN:401:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.0994, "minimum_chain_distance_angstrom": 2.0994, "minimum_core_distance_angstrom": 2.0994, "multiple_contacting_mapped_chains": 0, "pdb_id": "4NS5", "protein_id": "UP:Q15326", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A", "source_coordinate_sha256": "d6f35d5c06ce150fc8a1c9203a1545c94d50bd5caef6a08db95ea73a7fa89876" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"298\", \"component\": \"HIS\", \"entity_position\": 211, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1322, \"uniprot_position\": 278}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"CYS\", \"entity_position\": 188, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"GLU\", \"entity_position\": 190, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.536, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"CYS\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2532, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 207, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3007, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"298\", \"component\": \"HIS\", \"entity_position\": 211, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1322, \"uniprot_position\": 278}]", "chain_id": "PDB:5B73:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"298\", \"component\": \"HIS\", \"entity_position\": 211, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1322, \"uniprot_position\": 278}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "501", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 339, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:5B73:LIG:B:ZN:501:.", "nearest_polypeptide_distance_angstrom": 2.1322, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5B73", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"275\", \"component\": \"CYS\", \"entity_position\": 188, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"GLU\", \"entity_position\": 190, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.536, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"CYS\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2532, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"CYS\", \"entity_position\": 207, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3007, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"298\", \"component\": \"HIS\", \"entity_position\": 211, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1322, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/5B73/original.cif", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5B73:LIG:B:ZN:501:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.1322, "minimum_chain_distance_angstrom": 2.1322, "minimum_core_distance_angstrom": 2.1322, "multiple_contacting_mapped_chains": 0, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3392, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"VAL\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5339, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3679, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"131\", \"component\": \"HIS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0509, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"134\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2877, \"uniprot_position\": 114}]", "chain_id": "PDB:5B73:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 339, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:5B73:LIG:C:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.0509, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5B73", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3392, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"113\", \"component\": \"VAL\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5339, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 27, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3679, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"131\", \"component\": \"HIS\", \"entity_position\": 44, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0509, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"134\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2877, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/5B73/original.cif", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5B73:LIG:C:ZN:502:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 25.1742, "minimum_chain_distance_angstrom": 2.0509, "minimum_core_distance_angstrom": 25.1742, "multiple_contacting_mapped_chains": 0, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"123\", \"component\": \"CYS\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.314, \"uniprot_position\": 103}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LEU\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4914, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"CYS\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3774, \"uniprot_position\": 106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"128\", \"component\": \"ARG\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5585, \"uniprot_position\": 108}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"CYS\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1041, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"150\", \"component\": \"CYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3215, \"uniprot_position\": 130}]", "chain_id": "PDB:5B73:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 339, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:5B73:LIG:D:ZN:503:.", "nearest_polypeptide_distance_angstrom": 2.1041, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5B73", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"123\", \"component\": \"CYS\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.314, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"125\", \"component\": \"LEU\", \"entity_position\": 38, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4914, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"126\", \"component\": \"CYS\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3774, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"128\", \"component\": \"ARG\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5585, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"147\", \"component\": \"CYS\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1041, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"150\", \"component\": \"CYS\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3215, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/5B73/original.cif", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5B73:LIG:D:ZN:503:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 23.5288, "minimum_chain_distance_angstrom": 2.1041, "minimum_core_distance_angstrom": 23.5288, "multiple_contacting_mapped_chains": 0, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 9, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4557, \"uniprot_position\": 91}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 11, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6793, \"uniprot_position\": 93}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 12, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3474, \"uniprot_position\": 94}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"95\", \"component\": \"HIS\", \"entity_position\": 13, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9327, \"uniprot_position\": 95}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.0889, \"uniprot_position\": 111}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": 114}]", "chain_id": "PDB:5Y1Z:CHAIN:C:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "501", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:F:ZN:501:.", "nearest_polypeptide_distance_angstrom": 2.0889, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 9, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4557, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 11, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6793, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 12, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3474, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"95\", \"component\": \"HIS\", \"entity_position\": 13, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9327, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.0889, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 32, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:F:ZN:501:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 29.1724, "minimum_chain_distance_angstrom": 2.0889, "minimum_core_distance_angstrom": 29.1724, "multiple_contacting_mapped_chains": 0, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2034, \"uniprot_position\": 278}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6273, \"uniprot_position\": 296}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 173, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3221, \"uniprot_position\": 255}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 175, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.61, \"uniprot_position\": 257}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 176, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3074, \"uniprot_position\": 258}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 192, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5217, \"uniprot_position\": 274}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2034, \"uniprot_position\": 278}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6273, \"uniprot_position\": 296}]", "chain_id": "PDB:5Y1Z:CHAIN:C:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2034, \"uniprot_position\": 278}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6273, \"uniprot_position\": 296}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:G:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.2034, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 173, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3221, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 175, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.61, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 176, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3074, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 192, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5217, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2034, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6273, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:G:ZN:502:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": 2.2034, "minimum_chain_distance_angstrom": 2.2034, "minimum_core_distance_angstrom": 2.2034, "multiple_contacting_mapped_chains": 0, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3178, \"uniprot_position\": 103}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9116, \"uniprot_position\": 105}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": 106}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4721, \"uniprot_position\": 108}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4099, \"uniprot_position\": 127}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"129\", \"component\": \"GLU\", \"entity_position\": 47, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9527, \"uniprot_position\": 129}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.208, \"uniprot_position\": 130}]", "chain_id": "PDB:5Y1Z:CHAIN:C:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:H:ZN:503:.", "nearest_polypeptide_distance_angstrom": 2.208, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 21, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3178, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 23, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9116, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 26, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4721, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 45, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4099, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"129\", \"component\": \"GLU\", \"entity_position\": 47, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9527, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 48, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.208, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:H:ZN:503:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 25.7166, "minimum_chain_distance_angstrom": 2.208, "minimum_core_distance_angstrom": 25.7166, "multiple_contacting_mapped_chains": 0, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3973, \"uniprot_position\": 103}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 23, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4547, \"uniprot_position\": 105}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2928, \"uniprot_position\": 106}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.551, \"uniprot_position\": 108}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 45, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4215, \"uniprot_position\": 127}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 48, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": 130}]", "chain_id": "PDB:5Y1Z:CHAIN:D:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "501", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:L:ZN:501:.", "nearest_polypeptide_distance_angstrom": 2.2928, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 21, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3973, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 23, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4547, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 24, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2928, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 26, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.551, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 45, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4215, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 48, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:L:ZN:501:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 25.6943, "minimum_chain_distance_angstrom": 2.2928, "minimum_core_distance_angstrom": 25.6943, "multiple_contacting_mapped_chains": 0, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3859, \"uniprot_position\": 355}]", "chain_id": "PDB:5Y1Z:CHAIN:C:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 2, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}, {\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.1463, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3859, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 9, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 11, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7647, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 12, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2356, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"95\", \"component\": \"HIS\", \"entity_position\": 13, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9507, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1463, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3135, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 7.2687, "minimum_chain_distance_angstrom": 4.3859, "minimum_core_distance_angstrom": 16.58, "multiple_contacting_mapped_chains": 1, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 9, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": 91}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 11, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7647, \"uniprot_position\": 93}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 12, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2356, \"uniprot_position\": 94}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"95\", \"component\": \"HIS\", \"entity_position\": 13, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9507, \"uniprot_position\": 95}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1463, \"uniprot_position\": 111}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3135, \"uniprot_position\": 114}]", "chain_id": "PDB:5Y1Z:CHAIN:D:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}, {\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.1463, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3859, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 9, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 11, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7647, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 12, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2356, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"95\", \"component\": \"HIS\", \"entity_position\": 13, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9507, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1463, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 32, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3135, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 29.1167, "minimum_chain_distance_angstrom": 2.1463, "minimum_core_distance_angstrom": 29.1167, "multiple_contacting_mapped_chains": 1, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2224, \"uniprot_position\": 278}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4432, \"uniprot_position\": 296}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 173, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.196, \"uniprot_position\": 255}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 175, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5261, \"uniprot_position\": 257}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 176, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3643, \"uniprot_position\": 258}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 192, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4257, \"uniprot_position\": 274}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2224, \"uniprot_position\": 278}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4432, \"uniprot_position\": 296}]", "chain_id": "PDB:5Y1Z:CHAIN:D:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2224, \"uniprot_position\": 278}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4432, \"uniprot_position\": 296}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Protein kinase C-binding protein 1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 324, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:N:ZN:503:.", "nearest_polypeptide_distance_angstrom": 2.196, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "5Y1Z", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 173, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.196, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 175, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5261, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 176, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3643, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 192, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4257, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 196, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2224, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"296\", \"component\": \"LEU\", \"entity_position\": 214, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4432, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/Complexes/5Y1Z/original.cif", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:5Y1Z:LIG:N:ZN:503:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 2.2224, "minimum_chain_distance_angstrom": 2.196, "minimum_core_distance_angstrom": 2.2224, "multiple_contacting_mapped_chains": 0, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1016\", \"component\": \"CYS\", \"entity_position\": 356, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5138, \"uniprot_position\": 1016}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1017\", \"component\": \"ASN\", \"entity_position\": 357, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9282, \"uniprot_position\": 1017}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1018\", \"component\": \"CYS\", \"entity_position\": 358, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4142, \"uniprot_position\": 1018}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1026\", \"component\": \"CYS\", \"entity_position\": 366, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.269, \"uniprot_position\": 1026}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1031\", \"component\": \"GLU\", \"entity_position\": 371, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5962, \"uniprot_position\": 1031}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1032\", \"component\": \"CYS\", \"entity_position\": 372, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": 1032}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1033\", \"component\": \"LEU\", \"entity_position\": 373, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8531, \"uniprot_position\": 1033}]", "chain_id": "PDB:7CRO:CHAIN:K:UP:O96028", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1402", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 705, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:7CRO:LIG:M:ZN:1402:.", "nearest_polypeptide_distance_angstrom": 2.269, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1016\", \"component\": \"CYS\", \"entity_position\": 356, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5138, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1017\", \"component\": \"ASN\", \"entity_position\": 357, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9282, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1018\", \"component\": \"CYS\", \"entity_position\": 358, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4142, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1026\", \"component\": \"CYS\", \"entity_position\": 366, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.269, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1031\", \"component\": \"GLU\", \"entity_position\": 371, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5962, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1032\", \"component\": \"CYS\", \"entity_position\": 372, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1033\", \"component\": \"LEU\", \"entity_position\": 373, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8531, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Unclassified_Review/7CRO/original.cif", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRO:LIG:M:ZN:1402:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.269, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRO", "protein_id": "UP:O96028", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRO:LIG:M:ZN:1402:.:SITE:UP:O96028:PWWP2:K", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1016\", \"component\": \"CYS\", \"entity_position\": 356, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.557, \"uniprot_position\": 1016}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1026\", \"component\": \"CYS\", \"entity_position\": 366, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.786, \"uniprot_position\": 1026}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1034\", \"component\": \"ASN\", \"entity_position\": 374, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9142, \"uniprot_position\": 1034}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1041\", \"component\": \"CYS\", \"entity_position\": 381, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3932, \"uniprot_position\": 1041}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1042\", \"component\": \"HIS\", \"entity_position\": 382, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8151, \"uniprot_position\": 1042}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1046\", \"component\": \"CYS\", \"entity_position\": 386, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2012, \"uniprot_position\": 1046}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1052\", \"component\": \"CYS\", \"entity_position\": 392, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4657, \"uniprot_position\": 1052}]", "chain_id": "PDB:7CRO:CHAIN:K:UP:O96028", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1403", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 705, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:7CRO:LIG:N:ZN:1403:.", "nearest_polypeptide_distance_angstrom": 2.3932, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1016\", \"component\": \"CYS\", \"entity_position\": 356, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.557, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1026\", \"component\": \"CYS\", \"entity_position\": 366, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.786, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1034\", \"component\": \"ASN\", \"entity_position\": 374, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9142, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1041\", \"component\": \"CYS\", \"entity_position\": 381, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3932, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1042\", \"component\": \"HIS\", \"entity_position\": 382, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8151, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1046\", \"component\": \"CYS\", \"entity_position\": 386, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2012, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1052\", \"component\": \"CYS\", \"entity_position\": 392, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4657, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Unclassified_Review/7CRO/original.cif", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRO:LIG:N:ZN:1403:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3932, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRO", "protein_id": "UP:O96028", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRO:LIG:N:ZN:1403:.:SITE:UP:O96028:PWWP2:K", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1144\", \"component\": \"CYS\", \"entity_position\": 484, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3557, \"uniprot_position\": 1144}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1191\", \"component\": \"CYS\", \"entity_position\": 531, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5423, \"uniprot_position\": 1191}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1192\", \"component\": \"ARG\", \"entity_position\": 532, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4706, \"uniprot_position\": 1192}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1193\", \"component\": \"CYS\", \"entity_position\": 533, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6137, \"uniprot_position\": 1193}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1194\", \"component\": \"GLY\", \"entity_position\": 534, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5847, \"uniprot_position\": 1194}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1198\", \"component\": \"CYS\", \"entity_position\": 538, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.0863, \"uniprot_position\": 1198}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1199\", \"component\": \"SER\", \"entity_position\": 539, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": 1199}]", "chain_id": "PDB:7CRO:CHAIN:K:UP:O96028", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "gene": "NSD2", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1404", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 705, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7CRO:LIG:O:ZN:1404:.", "nearest_polypeptide_distance_angstrom": 2.0863, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1144\", \"component\": \"CYS\", \"entity_position\": 484, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3557, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1191\", \"component\": \"CYS\", \"entity_position\": 531, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5423, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1192\", \"component\": \"ARG\", \"entity_position\": 532, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4706, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1193\", \"component\": \"CYS\", \"entity_position\": 533, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6137, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1194\", \"component\": \"GLY\", \"entity_position\": 534, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5847, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1198\", \"component\": \"CYS\", \"entity_position\": 538, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.0863, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1199\", \"component\": \"SER\", \"entity_position\": 539, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2344, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Unclassified_Review/7CRO/original.cif", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRO:LIG:O:ZN:1404:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0863, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRO", "protein_id": "UP:O96028", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRO:LIG:O:ZN:1404:.:SITE:UP:O96028:PWWP2:K", "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7662, \"uniprot_position\": 1224}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2653, \"uniprot_position\": 1225}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": 1226}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4686, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8011, \"uniprot_position\": 1276}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6569, \"uniprot_position\": 1280}]", "chain_id": "PDB:7CRP:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:7CRP:LIG:M:ZN:1502:.", "nearest_polypeptide_distance_angstrom": 2.3315, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7662, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2653, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9502, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4686, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8011, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6569, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRP/original.cif", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRP:LIG:M:ZN:1502:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3315, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRP:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9063, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0348, \"uniprot_position\": 1100}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.7059, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.38, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9642, \"uniprot_position\": 1115}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7425, \"uniprot_position\": 1128}]", "chain_id": "PDB:7CRP:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:7CRP:LIG:N:ZN:1503:.", "nearest_polypeptide_distance_angstrom": 2.3578, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9063, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0348, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.7059, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.38, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9642, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7425, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRP/original.cif", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRP:LIG:N:ZN:1503:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3578, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRP:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4464, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4047, \"uniprot_position\": 1123}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.421, \"uniprot_position\": 1128}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6518, \"uniprot_position\": 1130}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0644, \"uniprot_position\": 1134}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9203, \"uniprot_position\": 1136}]", "chain_id": "PDB:7CRP:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1504", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7CRP:LIG:O:ZN:1504:.", "nearest_polypeptide_distance_angstrom": 2.421, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4464, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4047, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.421, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6518, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0644, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9203, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRP/original.cif", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRP:LIG:O:ZN:1504:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.421, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRP:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3839, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1972, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3736, \"uniprot_position\": 1100}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1572, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3564, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5268, \"uniprot_position\": 1115}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1116\", \"component\": \"ASN\", \"entity_position\": 437, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8985, \"uniprot_position\": 1116}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7786, \"uniprot_position\": 1123}]", "chain_id": "PDB:7CRQ:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:N:ZN:1502:.", "nearest_polypeptide_distance_angstrom": 2.3564, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3839, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1972, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3736, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1572, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3564, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5268, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1116\", \"component\": \"ASN\", \"entity_position\": 437, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8985, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7786, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:N:ZN:1502:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3564, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:N:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0974, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3757, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9995, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9397, \"uniprot_position\": 1123}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4157, \"uniprot_position\": 1128}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9939, \"uniprot_position\": 1130}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.237, \"uniprot_position\": 1134}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5579, \"uniprot_position\": 1136}]", "chain_id": "PDB:7CRQ:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:O:ZN:1503:.", "nearest_polypeptide_distance_angstrom": 2.3757, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0974, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3757, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9995, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9397, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4157, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9939, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.237, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5579, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:O:ZN:1503:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3757, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:O:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5471, \"uniprot_position\": 1225}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9294, \"uniprot_position\": 1226}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5475, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": 1274}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5405, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5771, \"uniprot_position\": 1276}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8574, \"uniprot_position\": 1280}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6933, \"uniprot_position\": 1281}]", "chain_id": "PDB:7CRQ:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1504", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:P:ZN:1504:.", "nearest_polypeptide_distance_angstrom": 2.5405, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5471, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9294, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5475, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5405, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5771, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8574, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6933, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:P:ZN:1504:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.5405, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:P:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5766, \"uniprot_position\": 1224}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.9536, \"uniprot_position\": 1226}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.5821, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.2462, \"uniprot_position\": 1274}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4931, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.054, \"uniprot_position\": 1280}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.1361, \"uniprot_position\": 1281}]", "chain_id": "PDB:7CRQ:CHAIN:L:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1501", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:Q:ZN:1501:.", "nearest_polypeptide_distance_angstrom": 2.054, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5766, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.9536, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.5821, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.2462, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4931, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.054, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.1361, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:Q:ZN:1501:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.054, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:Q:ZN:1501:.:SITE:UP:Q9BZ95:PWWP2:L", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4284, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6371, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.433, \"uniprot_position\": 1100}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3986, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3664, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6529, \"uniprot_position\": 1115}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1116\", \"component\": \"ASN\", \"entity_position\": 437, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9653, \"uniprot_position\": 1116}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6986, \"uniprot_position\": 1123}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9138, \"uniprot_position\": 1128}]", "chain_id": "PDB:7CRQ:CHAIN:L:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:R:ZN:1502:.", "nearest_polypeptide_distance_angstrom": 2.3664, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4284, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6371, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.433, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3986, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3664, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6529, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1116\", \"component\": \"ASN\", \"entity_position\": 437, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9653, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6986, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9138, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:R:ZN:1502:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3664, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:R:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:L", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6264, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1107\", \"component\": \"PRO\", \"entity_position\": 428, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9264, \"uniprot_position\": 1107}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4223, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9896, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": 1123}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4293, \"uniprot_position\": 1128}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.889, \"uniprot_position\": 1134}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.84, \"uniprot_position\": 1136}]", "chain_id": "PDB:7CRQ:CHAIN:L:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:7CRQ:LIG:S:ZN:1503:.", "nearest_polypeptide_distance_angstrom": 2.4223, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRQ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6264, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1107\", \"component\": \"PRO\", \"entity_position\": 428, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9264, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4223, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9896, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4623, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.4293, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.889, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.84, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRQ:LIG:S:ZN:1503:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4223, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRQ:LIG:S:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:L", "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1397, \"uniprot_position\": 1225}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5025, \"uniprot_position\": 1226}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4725, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3851, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8421, \"uniprot_position\": 1276}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5549, \"uniprot_position\": 1280}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7819, \"uniprot_position\": 1281}]", "chain_id": "PDB:7CRR:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:7CRR:LIG:M:ZN:1502:.", "nearest_polypeptide_distance_angstrom": 2.3851, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRR", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1397, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1226\", \"component\": \"CYS\", \"entity_position\": 547, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5025, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4725, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3851, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1276\", \"component\": \"GLY\", \"entity_position\": 597, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8421, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1280\", \"component\": \"CYS\", \"entity_position\": 601, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5549, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1281\", \"component\": \"SER\", \"entity_position\": 602, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7819, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRR/original.cif", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRR:LIG:M:ZN:1502:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3851, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRR:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3822, \"uniprot_position\": 1098}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9094, \"uniprot_position\": 1099}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3542, \"uniprot_position\": 1100}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2745, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": 1114}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2821, \"uniprot_position\": 1115}]", "chain_id": "PDB:7CRR:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:7CRR:LIG:N:ZN:1503:.", "nearest_polypeptide_distance_angstrom": 2.2745, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRR", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1098\", \"component\": \"CYS\", \"entity_position\": 419, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3822, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1099\", \"component\": \"ASN\", \"entity_position\": 420, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9094, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1100\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3542, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2745, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1114\", \"component\": \"CYS\", \"entity_position\": 435, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1115\", \"component\": \"LEU\", \"entity_position\": 436, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.2821, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRR/original.cif", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRR:LIG:N:ZN:1503:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2745, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRR:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1107\", \"component\": \"PRO\", \"entity_position\": 428, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.819, \"uniprot_position\": 1107}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5771, \"uniprot_position\": 1108}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": 1123}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8747, \"uniprot_position\": 1128}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5626, \"uniprot_position\": 1130}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5873, \"uniprot_position\": 1134}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4254, \"uniprot_position\": 1136}]", "chain_id": "PDB:7CRR:CHAIN:K:UP:Q9BZ95", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "gene": "NSD3", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"I\"]", "auth_seq_id": "1504", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:7CRR:LIG:O:ZN:1504:.", "nearest_polypeptide_distance_angstrom": 2.3548, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "7CRR", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1107\", \"component\": \"PRO\", \"entity_position\": 428, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.819, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1108\", \"component\": \"CYS\", \"entity_position\": 429, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5771, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1123\", \"component\": \"CYS\", \"entity_position\": 444, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1128\", \"component\": \"CYS\", \"entity_position\": 449, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8747, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1130\", \"component\": \"ALA\", \"entity_position\": 451, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5626, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1134\", \"component\": \"CYS\", \"entity_position\": 455, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5873, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1136\", \"component\": \"ASN\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4254, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRR/original.cif", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:7CRR:LIG:O:ZN:1504:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3548, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:7CRR:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 435}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9974, \"uniprot_position\": 437}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 438}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": 455}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6893, \"uniprot_position\": 457}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIH:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:G:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.3254, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9974, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3254, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6893, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3304, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:G:ZN:902:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3254, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:G:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3331, \"uniprot_position\": 478}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8784, \"uniprot_position\": 480}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 481}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8055, \"uniprot_position\": 482}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8421, \"uniprot_position\": 483}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0852, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIH:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:H:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.0852, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3331, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8784, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8055, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8421, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0852, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:H:ZN:903:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0852, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3364, \"uniprot_position\": 490}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3665, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": 495}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": 524}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8366, \"uniprot_position\": 526}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIH:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:I:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3269, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3364, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3665, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3275, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8366, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:I:ZN:904:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3269, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": 435}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.119, \"uniprot_position\": 437}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": 438}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 455}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": 457}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 458}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"461\", \"component\": \"ARG\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 461}]", "chain_id": "PDB:8EIH:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:K:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.3263, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.119, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8805, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"461\", \"component\": \"ARG\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:K:ZN:902:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3263, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3376, \"uniprot_position\": 478}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.763, \"uniprot_position\": 480}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": 481}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0681, \"uniprot_position\": 483}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.0859, \"uniprot_position\": 500}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIH:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:L:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.0859, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3376, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.763, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0681, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.0859, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:L:ZN:903:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0859, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": 490}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 495}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": 524}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9741, \"uniprot_position\": 526}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3233, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIH:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:M:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3233, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9741, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3233, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:M:ZN:904:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3233, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2991, \"uniprot_position\": 435}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": 437}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6586, \"uniprot_position\": 438}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7682, \"uniprot_position\": 439}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2422, \"uniprot_position\": 440}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": 455}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8185, \"uniprot_position\": 457}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3003, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIH:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "901", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:N:ZN:901:.", "nearest_polypeptide_distance_angstrom": 2.2981, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2991, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.6586, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7682, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2422, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2981, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8185, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3003, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:N:ZN:901:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2981, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": 478}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6223, \"uniprot_position\": 480}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": 481}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0712, \"uniprot_position\": 483}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"485\", \"component\": \"ARG\", \"entity_position\": 282, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5202, \"uniprot_position\": 485}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.0752, \"uniprot_position\": 500}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"501\", \"component\": \"VAL\", \"entity_position\": 298, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8869, \"uniprot_position\": 501}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIH:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:O:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.0752, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6223, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0712, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"485\", \"component\": \"ARG\", \"entity_position\": 282, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5202, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.0752, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"501\", \"component\": \"VAL\", \"entity_position\": 298, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8869, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:O:ZN:902:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0752, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": 490}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.456, \"uniprot_position\": 492}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": 495}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3182, \"uniprot_position\": 524}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7224, \"uniprot_position\": 526}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIH:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:P:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.3182, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.456, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3182, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.7224, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:P:ZN:903:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3182, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2025, \"uniprot_position\": 435}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"436\", \"component\": \"LEU\", \"entity_position\": 233, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0603, \"uniprot_position\": 436}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3316, \"uniprot_position\": 437}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0198, \"uniprot_position\": 438}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9612, \"uniprot_position\": 439}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"453\", \"component\": \"GLY\", \"entity_position\": 250, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2963, \"uniprot_position\": 453}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"454\", \"component\": \"LEU\", \"entity_position\": 251, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5253, \"uniprot_position\": 454}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1698, \"uniprot_position\": 455}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6727, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIH:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "901", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:Q:ZN:901:.", "nearest_polypeptide_distance_angstrom": 2.2963, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2025, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"436\", \"component\": \"LEU\", \"entity_position\": 233, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0603, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.3316, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0198, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9612, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"453\", \"component\": \"GLY\", \"entity_position\": 250, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2963, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"454\", \"component\": \"LEU\", \"entity_position\": 251, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5253, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1698, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.6727, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:Q:ZN:901:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2963, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1335, \"uniprot_position\": 478}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4552, \"uniprot_position\": 480}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.6612, \"uniprot_position\": 481}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.385, \"uniprot_position\": 482}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9346, \"uniprot_position\": 483}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"PHE\", \"entity_position\": 296, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9237, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": 500}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.748, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIH:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:R:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.6612, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.1335, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4552, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.6612, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.385, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9346, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"PHE\", \"entity_position\": 296, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9237, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.4051, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.748, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:R:ZN:902:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.6612, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0705, \"uniprot_position\": 495}]", "chain_id": "PDB:8EIH:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:8EIH:LIG:S:ZN:903:.", "nearest_polypeptide_distance_angstrom": 4.0705, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIH", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0705, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Complexes/8EIH/original.cif", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIH:LIG:S:ZN:903:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 4.0705, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": 435}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4819, \"uniprot_position\": 437}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7901, \"uniprot_position\": 438}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7403, \"uniprot_position\": 439}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 455}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1744, \"uniprot_position\": 457}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": 458}]", "chain_id": "PDB:8EII:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:F:ZN:902:.", "nearest_polypeptide_distance_angstrom": 1.7901, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4819, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7901, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7403, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1744, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3315, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:F:ZN:902:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.7901, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": 478}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3279, \"uniprot_position\": 481}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6822, \"uniprot_position\": 482}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9984, \"uniprot_position\": 483}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2138, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": 503}]", "chain_id": "PDB:8EII:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:G:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.2138, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3279, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6822, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9984, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2138, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:G:ZN:903:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2138, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3384, \"uniprot_position\": 490}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3622, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 495}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6318, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 524}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": 527}]", "chain_id": "PDB:8EII:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:H:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3252, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3384, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3622, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6318, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:H:ZN:904:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3252, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": 435}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4526, \"uniprot_position\": 437}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": 438}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": 455}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": 458}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"461\", \"component\": \"ARG\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9357, \"uniprot_position\": 461}]", "chain_id": "PDB:8EII:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:J:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.3226, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4526, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"461\", \"component\": \"ARG\", \"entity_position\": 258, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9357, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:J:ZN:902:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3226, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 478}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4495, \"uniprot_position\": 480}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": 481}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3596, \"uniprot_position\": 483}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3257, \"uniprot_position\": 500}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8684, \"uniprot_position\": 502}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": 503}]", "chain_id": "PDB:8EII:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:K:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.3257, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4495, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3265, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3596, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3257, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8684, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:K:ZN:903:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3257, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": 490}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9717, \"uniprot_position\": 492}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3329, \"uniprot_position\": 495}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9206, \"uniprot_position\": 523}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 524}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9598, \"uniprot_position\": 526}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": 527}]", "chain_id": "PDB:8EII:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:L:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3239, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9717, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3329, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9206, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9598, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:L:ZN:904:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3239, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 435}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7658, \"uniprot_position\": 437}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 438}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9879, \"uniprot_position\": 439}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 455}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3566, \"uniprot_position\": 457}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 458}]", "chain_id": "PDB:8EII:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "901", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:M:ZN:901:.", "nearest_polypeptide_distance_angstrom": 2.3264, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7658, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9879, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3566, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:M:ZN:901:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3264, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3344, \"uniprot_position\": 478}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3826, \"uniprot_position\": 480}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 481}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4025, \"uniprot_position\": 482}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": 500}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2347, \"uniprot_position\": 502}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3229, \"uniprot_position\": 503}]", "chain_id": "PDB:8EII:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:N:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.3229, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3344, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.3826, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.4025, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2347, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3229, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:N:ZN:902:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3229, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": 490}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8593, \"uniprot_position\": 492}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 495}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1902, \"uniprot_position\": 497}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9073, \"uniprot_position\": 523}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": 524}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3307, \"uniprot_position\": 527}]", "chain_id": "PDB:8EII:CHAIN:C:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:8EII:LIG:O:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.3283, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EII", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8593, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1902, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9073, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3296, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3307, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EII:LIG:O:ZN:903:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3283, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.338, \"uniprot_position\": 435}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5923, \"uniprot_position\": 437}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.8327, \"uniprot_position\": 438}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8634, \"uniprot_position\": 439}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6053, \"uniprot_position\": 440}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3387, \"uniprot_position\": 455}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2065, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIJ:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:E:ZN:902:.", "nearest_polypeptide_distance_angstrom": 1.8327, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.338, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5923, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.8327, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8634, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6053, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3387, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2065, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:E:ZN:902:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.8327, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": 478}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7003, \"uniprot_position\": 480}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": 481}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6515, \"uniprot_position\": 482}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2806, \"uniprot_position\": 483}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1059, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIJ:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:F:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.1059, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7003, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6515, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2806, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1059, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:F:ZN:903:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1059, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": 490}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": 495}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6373, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 524}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3203, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIJ:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:G:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3203, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3313, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0581, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3218, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6373, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3203, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:G:ZN:904:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3203, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": 435}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": 438}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7146, \"uniprot_position\": 440}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": 455}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.949, \"uniprot_position\": 457}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIJ:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:I:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.3249, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3252, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7146, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3278, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.949, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3249, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:I:ZN:902:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3249, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 478}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.61, \"uniprot_position\": 480}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3213, \"uniprot_position\": 481}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2982, \"uniprot_position\": 482}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6318, \"uniprot_position\": 483}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3281, \"uniprot_position\": 500}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIJ:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:J:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.3213, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.61, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3213, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2982, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6318, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3281, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3226, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:J:ZN:903:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3213, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3424, \"uniprot_position\": 490}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.963, \"uniprot_position\": 492}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": 495}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5522, \"uniprot_position\": 497}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": 523}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": 524}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIJ:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:8EIJ:LIG:K:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3289, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIJ", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3424, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.963, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5522, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9223, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIJ/original.cif", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIJ:LIG:K:ZN:904:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3289, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3554, \"uniprot_position\": 435}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9342, \"uniprot_position\": 437}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7851, \"uniprot_position\": 438}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.88, \"uniprot_position\": 439}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 455}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2362, \"uniprot_position\": 457}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIK:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:H:ZN:902:.", "nearest_polypeptide_distance_angstrom": 1.7851, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3554, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"437\", \"component\": \"SER\", \"entity_position\": 234, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9342, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.7851, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.88, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2362, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:H:ZN:902:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.7851, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": 478}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1121, \"uniprot_position\": 480}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": 481}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3045, \"uniprot_position\": 483}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1043, \"uniprot_position\": 500}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIK:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:I:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.1043, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1121, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3045, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1043, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:I:ZN:903:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1043, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": 490}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0461, \"uniprot_position\": 492}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3338, \"uniprot_position\": 495}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8084, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9524, \"uniprot_position\": 523}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 524}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIK:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:J:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3282, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0461, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3338, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8084, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"523\", \"component\": \"SER\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9524, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:J:ZN:904:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3282, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.347, \"uniprot_position\": 435}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.8638, \"uniprot_position\": 438}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7821, \"uniprot_position\": 439}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9368, \"uniprot_position\": 440}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 455}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5842, \"uniprot_position\": 457}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIK:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:L:ZN:902:.", "nearest_polypeptide_distance_angstrom": 1.8638, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.347, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.8638, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"439\", \"component\": \"GLY\", \"entity_position\": 236, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7821, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"440\", \"component\": \"ARG\", \"entity_position\": 237, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9368, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5842, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:L:ZN:902:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.8638, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": 478}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2088, \"uniprot_position\": 480}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": 481}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9017, \"uniprot_position\": 483}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.04, \"uniprot_position\": 500}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7433, \"uniprot_position\": 502}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIK:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:M:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.04, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.2088, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9017, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.04, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.7433, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:M:ZN:903:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.04, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 490}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9589, \"uniprot_position\": 492}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": 495}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3273, \"uniprot_position\": 524}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": 526}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIK:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"B\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:N:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.3273, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9589, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3273, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"526\", \"component\": \"MET\", \"entity_position\": 323, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8967, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:N:ZN:904:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3273, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": 435}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.9342, \"uniprot_position\": 438}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 455}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8825, \"uniprot_position\": 457}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": 458}]", "chain_id": "PDB:8EIK:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:P:ZN:902:.", "nearest_polypeptide_distance_angstrom": 1.9342, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.9342, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8825, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3297, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:P:ZN:902:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.9342, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3262, \"uniprot_position\": 478}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1812, \"uniprot_position\": 480}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": 481}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8105, \"uniprot_position\": 482}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0797, \"uniprot_position\": 483}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2174, \"uniprot_position\": 500}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1219, \"uniprot_position\": 502}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIK:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:Q:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.2174, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3262, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1812, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8105, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"483\", \"component\": \"GLU\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0797, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2174, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"502\", \"component\": \"GLU\", \"entity_position\": 299, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1219, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:Q:ZN:903:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2174, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3327, \"uniprot_position\": 490}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.287, \"uniprot_position\": 492}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": 495}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 524}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": 527}]", "chain_id": "PDB:8EIK:CHAIN:D:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"C\"]", "auth_seq_id": "904", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:R:ZN:904:.", "nearest_polypeptide_distance_angstrom": 2.329, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3327, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.287, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3308, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"524\", \"component\": \"CYS\", \"entity_position\": 321, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"527\", \"component\": \"CYS\", \"entity_position\": 324, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:R:ZN:904:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.329, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3583, \"uniprot_position\": 435}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"454\", \"component\": \"LEU\", \"entity_position\": 251, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7903, \"uniprot_position\": 454}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.1327, \"uniprot_position\": 455}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"456\", \"component\": \"GLN\", \"entity_position\": 253, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0649, \"uniprot_position\": 456}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.514, \"uniprot_position\": 457}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4717, \"uniprot_position\": 458}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"459\", \"component\": \"ARG\", \"entity_position\": 256, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0995, \"uniprot_position\": 459}]", "chain_id": "PDB:8EIK:CHAIN:E:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "901", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:S:ZN:901:.", "nearest_polypeptide_distance_angstrom": 2.1327, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 232, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.3583, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"454\", \"component\": \"LEU\", \"entity_position\": 251, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.7903, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"455\", \"component\": \"CYS\", \"entity_position\": 252, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.1327, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"456\", \"component\": \"GLN\", \"entity_position\": 253, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0649, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"457\", \"component\": \"THR\", \"entity_position\": 254, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.514, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 255, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4717, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"459\", \"component\": \"ARG\", \"entity_position\": 256, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.0995, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:S:ZN:901:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1327, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.2994, \"uniprot_position\": 478}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"479\", \"component\": \"THR\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8331, \"uniprot_position\": 479}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.5211, \"uniprot_position\": 480}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.2016, \"uniprot_position\": 481}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0881, \"uniprot_position\": 482}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7889, \"uniprot_position\": 500}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2248, \"uniprot_position\": 503}]", "chain_id": "PDB:8EIK:CHAIN:E:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "902", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:T:ZN:902:.", "nearest_polypeptide_distance_angstrom": 2.2016, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"478\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.2994, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"479\", \"component\": \"THR\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8331, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"480\", \"component\": \"VAL\", \"entity_position\": 277, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.5211, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"481\", \"component\": \"CYS\", \"entity_position\": 278, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.2016, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"482\", \"component\": \"CYS\", \"entity_position\": 279, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0881, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"500\", \"component\": \"CYS\", \"entity_position\": 297, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.7889, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"503\", \"component\": \"CYS\", \"entity_position\": 300, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.2248, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:T:ZN:902:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2016, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:T:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:E", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9167, \"uniprot_position\": 490}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": 492}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3007, \"uniprot_position\": 495}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4881, \"uniprot_position\": 497}]", "chain_id": "PDB:8EIK:CHAIN:E:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "903", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:8EIK:LIG:U:ZN:903:.", "nearest_polypeptide_distance_angstrom": 2.3007, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "8EIK", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"490\", \"component\": \"CYS\", \"entity_position\": 287, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9167, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"492\", \"component\": \"ASN\", \"entity_position\": 289, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.9668, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"495\", \"component\": \"CYS\", \"entity_position\": 292, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.3007, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"ARG\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.4881, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:8EIK:LIG:U:ZN:903:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3007, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E", "source_coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3607, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9474, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3545, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2863, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9293, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8225, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3582, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3645, \"uniprot_position\": 458}]", "chain_id": "PDB:9E00:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3545, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3607, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9474, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3545, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2863, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9293, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8225, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3582, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3645, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3545, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3581, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.1853, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3604, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5351, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4985, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3571, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3598, \"uniprot_position\": 503}]", "chain_id": "PDB:9E00:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3571, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3581, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.1853, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3604, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5351, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4985, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3571, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3598, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3571, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3877, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4322, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4242, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6348, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3579, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3833, \"uniprot_position\": 527}]", "chain_id": "PDB:9E00:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3579, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3877, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4322, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4242, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6348, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3579, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3833, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3579, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3661, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.9848, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3594, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2705, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2073, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3618, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3627, \"uniprot_position\": 517}]", "chain_id": "PDB:9E00:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:EA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3594, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3661, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.9848, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3594, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2705, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2073, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3618, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3627, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:EA:ZN:1001:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3594, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0008, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3544, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8578, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3589, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3467, \"uniprot_position\": 562}]", "chain_id": "PDB:9E00:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:FA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3437, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0008, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3544, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8578, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3589, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3467, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:FA:ZN:1002:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3437, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3722, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2023, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3817, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3559, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.398, \"uniprot_position\": 586}]", "chain_id": "PDB:9E00:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:GA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3559, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3722, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2023, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3817, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3559, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.398, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:GA:ZN:1003:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3559, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3726, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.3619, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3099, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3017, \"uniprot_position\": 458}]", "chain_id": "PDB:9E00:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:IA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3017, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3288, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3726, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3219, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.3619, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3099, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3017, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:IA:ZN:1001:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3017, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:IA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.119, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3023, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.35, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3716, \"uniprot_position\": 503}]", "chain_id": "PDB:9E00:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:JA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3023, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.383, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.119, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3023, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.35, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3716, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:JA:ZN:1002:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3023, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:JA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4008, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7467, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4784, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.6865, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.8972, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2884, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4925, \"uniprot_position\": 527}]", "chain_id": "PDB:9E00:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:9E00:LIG:KA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2884, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E00", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4008, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7467, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4784, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.6865, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.8972, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2884, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4925, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E00/original.cif", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E00:LIG:KA:ZN:1003:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2884, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E00:LIG:KA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3564, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9524, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3494, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2707, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.914, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.827, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3536, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3606, \"uniprot_position\": 458}]", "chain_id": "PDB:9E05:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3494, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3564, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9524, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3494, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2707, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.914, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.827, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3536, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3606, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3494, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3529, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.1917, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5409, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4941, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3519, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": 503}]", "chain_id": "PDB:9E05:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3519, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3529, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.1917, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5409, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4941, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3519, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3519, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3712, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4514, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3931, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6545, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3685, \"uniprot_position\": 527}]", "chain_id": "PDB:9E05:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3445, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3712, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4514, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3931, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6545, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3685, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3445, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3325, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5411, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3512, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6296, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.866, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3539, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 517}]", "chain_id": "PDB:9E05:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.329, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3325, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5411, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3512, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6296, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.866, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3539, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.329, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3547, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8587, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3515, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8548, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3622, \"uniprot_position\": 562}]", "chain_id": "PDB:9E05:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3458, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3547, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8587, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3515, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8548, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3622, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3458, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3225, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.2789, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3139, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3067, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3196, \"uniprot_position\": 586}]", "chain_id": "PDB:9E05:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3067, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3225, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.2789, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3139, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3067, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3196, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3067, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3594, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0004, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3543, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2602, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1793, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3565, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": 517}]", "chain_id": "PDB:9E05:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:HA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3543, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3594, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0004, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3543, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2602, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1793, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3565, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:HA:ZN:1001:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": 35.0705, "minimum_chain_distance_angstrom": 2.3543, "minimum_core_distance_angstrom": 42.5888, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0125, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3502, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3549, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": 562}]", "chain_id": "PDB:9E05:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3389, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0125, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3502, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8654, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3549, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 24.5113, "minimum_chain_distance_angstrom": 2.3389, "minimum_core_distance_angstrom": 33.3044, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3662, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2046, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3747, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3511, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.39, \"uniprot_position\": 586}]", "chain_id": "PDB:9E05:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3511, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3662, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2046, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3747, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3511, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.39, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": 24.8059, "minimum_chain_distance_angstrom": 2.3511, "minimum_core_distance_angstrom": 33.4711, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3646, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.3689, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3114, \"uniprot_position\": 458}]", "chain_id": "PDB:9E05:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3114, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3646, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.3689, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3158, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3114, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3114, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3676, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0895, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3211, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3614, \"uniprot_position\": 503}]", "chain_id": "PDB:9E05:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3211, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3676, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0895, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3211, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3614, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3211, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3891, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7333, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4328, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.6842, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9003, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3084, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4445, \"uniprot_position\": 527}]", "chain_id": "PDB:9E05:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3084, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3891, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7333, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4328, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.6842, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9003, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3084, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.4445, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3084, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5122, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5559, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7962, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3616, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3338, \"uniprot_position\": 517}]", "chain_id": "PDB:9E05:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3338, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5122, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3578, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5559, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7962, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3616, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3338, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3338, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3013, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1509, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9424, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3378, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.299, \"uniprot_position\": 562}]", "chain_id": "PDB:9E05:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.299, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3013, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1509, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9424, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3378, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.299, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.299, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0965, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2916, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2757, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": 586}]", "chain_id": "PDB:9E05:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2757, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3276, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0965, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2916, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2757, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2757, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3195, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4443, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5764, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.8077, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": 517}]", "chain_id": "PDB:9E05:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3195, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3195, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4443, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5764, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.8077, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 34.7429, "minimum_chain_distance_angstrom": 2.3195, "minimum_core_distance_angstrom": 41.2338, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.895, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3141, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9215, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3512, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9938, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": 562}]", "chain_id": "PDB:9E05:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3141, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.895, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3141, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9215, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3512, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9938, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3306, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 24.2018, "minimum_chain_distance_angstrom": 2.3141, "minimum_core_distance_angstrom": 31.9104, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3118, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.067, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.2907, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.2676, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": 586}]", "chain_id": "PDB:9E05:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9E05:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2676, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E05", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3118, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.067, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.2907, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.2676, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E05/original.cif", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E05:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": 22.6808, "minimum_chain_distance_angstrom": 2.2676, "minimum_core_distance_angstrom": 31.9313, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E05:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3569, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9533, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2708, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9139, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8269, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3531, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3601, \"uniprot_position\": 458}]", "chain_id": "PDB:9E0F:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:E:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3487, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3569, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9533, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2708, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9139, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8269, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3531, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3601, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:E:ZN:1001:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3487, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.353, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1916, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3553, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5403, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4939, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3518, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": 503}]", "chain_id": "PDB:9E0F:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:F:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3518, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.353, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1916, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3553, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5403, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4939, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3518, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:F:ZN:1002:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3518, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3713, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4509, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3924, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6545, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3676, \"uniprot_position\": 527}]", "chain_id": "PDB:9E0F:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:G:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3445, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3713, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4509, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3924, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6545, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3676, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:G:ZN:1003:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3445, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3333, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5412, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6293, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8651, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3532, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 517}]", "chain_id": "PDB:9E0F:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:H:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3292, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3333, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5412, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6293, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8651, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3532, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:H:ZN:1001:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3292, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3554, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8587, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3516, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8552, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": 562}]", "chain_id": "PDB:9E0F:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:I:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3455, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3554, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.8587, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3516, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8552, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:I:ZN:1002:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3455, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2788, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3145, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3064, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": 586}]", "chain_id": "PDB:9E0F:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:J:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3064, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.2788, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3145, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3064, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3193, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:J:ZN:1003:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3064, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3587, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0007, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.355, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2604, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1793, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3569, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3581, \"uniprot_position\": 517}]", "chain_id": "PDB:9E0F:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:L:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.355, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3587, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0007, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.355, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2604, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.1793, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3569, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3581, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:L:ZN:1001:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 35.0707, "minimum_chain_distance_angstrom": 2.355, "minimum_core_distance_angstrom": 42.589, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0129, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3501, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8651, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3553, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": 562}]", "chain_id": "PDB:9E0F:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:M:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3388, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0129, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3501, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8651, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3553, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:M:ZN:1002:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 24.5119, "minimum_chain_distance_angstrom": 2.3388, "minimum_core_distance_angstrom": 33.3053, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3658, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2042, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3752, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3507, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3897, \"uniprot_position\": 586}]", "chain_id": "PDB:9E0F:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:9E0F:LIG:N:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3507, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3658, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.2042, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3752, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3507, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3897, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0F:LIG:N:ZN:1003:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 24.8056, "minimum_chain_distance_angstrom": 2.3507, "minimum_core_distance_angstrom": 33.4702, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3567, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3772, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": 458}]", "chain_id": "PDB:9E0G:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:E:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3177, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3567, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3228, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3772, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.321, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3177, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:E:ZN:1001:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3177, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.358, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0644, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.344, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": 503}]", "chain_id": "PDB:9E0G:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:F:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3311, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.358, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0644, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.344, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3548, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:F:ZN:1002:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3311, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3799, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7292, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4028, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6885, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9043, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4126, \"uniprot_position\": 527}]", "chain_id": "PDB:9E0G:CHAIN:A:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:G:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3191, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3799, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7292, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4028, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6885, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9043, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4126, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:G:ZN:1003:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3191, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3373, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5171, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3543, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5514, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7855, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3562, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": 517}]", "chain_id": "PDB:9E0G:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:H:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3362, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3373, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5171, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3543, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5514, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.7855, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3562, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:H:ZN:1001:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3362, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3117, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1687, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9398, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.31, \"uniprot_position\": 562}]", "chain_id": "PDB:9E0G:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:I:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.31, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3117, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.1687, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9398, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.31, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:I:ZN:1002:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.31, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0897, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3053, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2952, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": 586}]", "chain_id": "PDB:9E0G:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:J:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2952, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3286, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0897, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3053, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.2952, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:J:ZN:1003:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2952, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4523, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5726, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7923, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 517}]", "chain_id": "PDB:9E0G:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:L:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3269, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4523, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5726, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7923, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:L:ZN:1001:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": 34.746, "minimum_chain_distance_angstrom": 2.3269, "minimum_core_distance_angstrom": 41.222, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8862, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9347, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3482, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9947, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": 562}]", "chain_id": "PDB:9E0G:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:M:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3208, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8862, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3208, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9347, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3482, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9947, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:M:ZN:1002:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": 24.2005, "minimum_chain_distance_angstrom": 2.3208, "minimum_core_distance_angstrom": 31.8921, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3172, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0628, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3036, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2889, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3351, \"uniprot_position\": 586}]", "chain_id": "PDB:9E0G:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:9E0G:LIG:N:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2889, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E0G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3172, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0628, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3036, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2889, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3351, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E0G:LIG:N:ZN:1003:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": 22.6812, "minimum_chain_distance_angstrom": 2.2889, "minimum_core_distance_angstrom": 31.9348, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E0G:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.9939, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.1914, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2D:CHAIN:Q:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Q\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3399, "nearest_polypeptide_label_asym_id": "Q", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.9939, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.1914, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8287, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3399, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "Q", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.2129, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3434, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.5528, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.4743, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2D:CHAIN:Q:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Q\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.341, "nearest_polypeptide_label_asym_id": "Q", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.2129, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3434, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.5528, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.4743, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.341, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "Q", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3327, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.5222, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.7864, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8916, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2D:CHAIN:Q:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Q\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3242, "nearest_polypeptide_label_asym_id": "Q", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3327, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.5222, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.7864, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 4.8916, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3242, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"Q\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3242, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "Q", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5414, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6056, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8168, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3387, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2D:CHAIN:S:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3387, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5414, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6056, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8168, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3387, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3387, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8626, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8423, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3318, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2D:CHAIN:S:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3318, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.332, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8626, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8423, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3318, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3318, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3356, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.3498, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3375, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2D:CHAIN:S:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.329, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3356, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.3498, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3375, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.329, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.0678, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.2151, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.0251, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3444, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2D:CHAIN:T:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"T\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:HA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3418, "nearest_polypeptide_label_asym_id": "T", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.0678, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.2151, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.0251, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3444, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:HA:ZN:1001:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": 35.14, "minimum_chain_distance_angstrom": 2.3418, "minimum_core_distance_angstrom": 42.5579, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "T", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.1006, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.9139, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2D:CHAIN:T:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"T\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3299, "nearest_polypeptide_label_asym_id": "T", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3302, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.1006, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.9139, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 24.4608, "minimum_chain_distance_angstrom": 2.3299, "minimum_core_distance_angstrom": 33.1874, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "T", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3468, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.1885, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2D:CHAIN:T:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"T\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3391, "nearest_polypeptide_label_asym_id": "T", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3468, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 4.1885, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"T\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": 24.764, "minimum_chain_distance_angstrom": 2.3391, "minimum_core_distance_angstrom": 33.411, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "T", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.428, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2D:CHAIN:U:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3277, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3295, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.3094, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.428, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3277, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:U", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.9719, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2D:CHAIN:U:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3393, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.9719, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3393, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:U", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.0028, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7297, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.9271, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3516, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2D:CHAIN:U:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3322, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.0028, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7297, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.9271, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3516, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3322, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:U", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.5272, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.52, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7302, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2D:CHAIN:W:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3386, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.5272, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.52, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7302, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.341, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3386, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.2251, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3396, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9368, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2D:CHAIN:W:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3316, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.333, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.2251, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3396, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9368, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3316, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3316, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3359, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1282, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3376, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2D:CHAIN:W:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3255, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3359, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1282, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3267, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3376, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3255, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.4904, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3464, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.5623, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 3.7107, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2D:CHAIN:X:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"X\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3393, "nearest_polypeptide_label_asym_id": "X", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.4904, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3464, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.5623, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 3.7107, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 34.7719, "minimum_chain_distance_angstrom": 2.3393, "minimum_core_distance_angstrom": 41.1046, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "X", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.8165, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3341, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 3.9911, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3424, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3364, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2D:CHAIN:X:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"X\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3341, "nearest_polypeptide_label_asym_id": "X", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.8165, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3341, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 3.9911, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3424, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3364, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 24.2038, "minimum_chain_distance_angstrom": 2.3341, "minimum_core_distance_angstrom": 31.75, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "X", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3336, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.087, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.337, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2D:CHAIN:X:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"6\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"X\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2D:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.324, "nearest_polypeptide_label_asym_id": "X", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3336, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 4.087, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.324, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"X\", \"minimum_distance_angstrom\": 2.337, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2D:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": 22.6803, "minimum_chain_distance_angstrom": 2.324, "minimum_core_distance_angstrom": 31.9606, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "X", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2D:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3489, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9534, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2268, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.887, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8464, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3532, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2Q:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3452, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3489, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9534, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2268, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.887, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8464, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3532, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3452, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3489, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2081, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5654, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5201, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3481, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3505, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2Q:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3481, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3489, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2081, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5654, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5201, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3481, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3505, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3481, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5416, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7517, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9754, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2Q:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3274, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5416, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7517, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9754, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3274, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5312, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3476, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6248, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8606, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2Q:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3397, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5312, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3476, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6248, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8606, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3397, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.337, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8787, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.846, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3379, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2Q:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.337, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.337, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8787, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.846, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3379, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.337, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3345, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3336, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2Q:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.328, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3345, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3336, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3293, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.328, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0738, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3478, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2475, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0865, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3492, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2Q:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:HA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3478, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0738, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3478, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2475, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0865, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3491, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3492, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:HA:ZN:1001:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3478, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3341, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0748, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3444, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8932, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3485, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2Q:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3341, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3341, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0748, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3444, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8932, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3485, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3358, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3341, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3527, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.229, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3595, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 333, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9968, \"uniprot_position\": 556}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3745, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2Q:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.345, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3527, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.229, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3595, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 333, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9968, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3745, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.345, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3483, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4105, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2Q:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3274, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3483, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4105, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3303, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3274, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0418, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3484, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2Q:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3418, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0418, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3484, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3418, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3677, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7694, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3641, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7174, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.905, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3353, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3709, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2Q:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3353, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3677, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7694, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3641, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7174, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.905, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3353, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3709, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3353, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5417, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5529, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7737, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3417, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2Q:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3417, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5417, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5529, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7737, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3417, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3417, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2078, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9554, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2Q:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.329, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2078, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9554, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.329, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3366, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1232, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3225, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2Q:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3225, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3366, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1232, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3225, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3225, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3394, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4835, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3483, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5896, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7744, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3398, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2Q:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3394, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3394, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4835, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3483, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5896, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7744, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3487, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3398, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3394, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8443, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3448, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.999, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3382, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2Q:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.335, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8443, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9605, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3448, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.999, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3382, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.335, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0979, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3195, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2Q:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2Q:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3195, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2Q", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0979, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3195, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3374, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E2Q/original.cif", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2Q:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3195, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2Q:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9759, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.207, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8576, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8268, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3417, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.351, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3417, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9759, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.207, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8576, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8268, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3417, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.351, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3417, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2112, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5551, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4786, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3412, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2112, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5551, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4786, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3412, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5142, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7364, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9551, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3395, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3236, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5142, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7364, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9551, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3236, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3395, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3236, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.542, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3453, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6187, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8328, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3385, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3386, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.542, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3453, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6187, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8328, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3385, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8691, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3403, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8445, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3323, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8691, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3403, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8445, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3324, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3323, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3103, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3354, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3258, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3103, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3269, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3354, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3258, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0404, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3453, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2336, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0899, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:HA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3453, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0404, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3453, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2336, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0899, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.346, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:HA:ZN:1001:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": 35.1137, "minimum_chain_distance_angstrom": 2.3453, "minimum_core_distance_angstrom": 42.5447, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0681, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3416, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8889, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3446, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3299, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0681, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3416, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8889, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3446, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3317, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": 24.4774, "minimum_chain_distance_angstrom": 2.3299, "minimum_core_distance_angstrom": 33.2214, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.35, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1998, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3558, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3704, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3431, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.35, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1998, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3558, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3704, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": 24.7713, "minimum_chain_distance_angstrom": 2.3431, "minimum_core_distance_angstrom": 33.4328, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.333, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4011, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": 458}]", "chain_id": "PDB:9E2R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3255, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3285, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.333, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3255, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4011, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.328, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3255, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": 503}]", "chain_id": "PDB:9E2R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3397, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3418, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9977, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3397, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.359, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9636, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3568, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7064, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9147, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3633, \"uniprot_position\": 527}]", "chain_id": "PDB:9E2R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3321, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.359, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9636, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3568, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7064, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9147, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3633, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3321, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3395, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5268, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3484, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5363, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7487, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3469, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3395, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3395, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5268, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3484, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5363, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7487, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3469, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3395, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2083, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9428, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3287, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3289, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2083, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3414, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9428, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3431, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3287, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3287, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.088, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3227, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3227, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.088, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3239, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3227, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.336, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3227, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4575, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5784, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.767, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3382, \"uniprot_position\": 517}]", "chain_id": "PDB:9E2R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3362, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4575, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5784, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.767, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3382, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": 34.7529, "minimum_chain_distance_angstrom": 2.3362, "minimum_core_distance_angstrom": 41.173, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8851, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9759, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9816, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": 562}]", "chain_id": "PDB:9E2R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3292, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8851, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9759, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3437, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9816, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": 24.2045, "minimum_chain_distance_angstrom": 2.3292, "minimum_core_distance_angstrom": 31.8276, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0722, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3203, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3348, \"uniprot_position\": 586}]", "chain_id": "PDB:9E2R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9E2R:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3203, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E2R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3282, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0722, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3222, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3203, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3348, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2R/original.cif", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E2R:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": 22.6851, "minimum_chain_distance_angstrom": 2.3203, "minimum_core_distance_angstrom": 31.9561, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E2R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8645, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8488, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3409, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3D:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:AA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3322, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3322, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8645, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3391, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8488, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3409, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:AA:ZN:1002:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3322, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3117, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3353, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3D:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:BA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3268, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3117, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.327, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3268, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3353, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:BA:ZN:1003:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3268, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0384, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3447, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2345, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0899, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3466, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3D:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3447, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0384, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3447, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2345, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0899, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3466, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": 35.1135, "minimum_chain_distance_angstrom": 2.3447, "minimum_core_distance_angstrom": 42.546, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0733, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8938, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3448, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3D:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.33, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0733, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8938, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3448, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3309, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": 24.4731, "minimum_chain_distance_angstrom": 2.33, "minimum_core_distance_angstrom": 33.2168, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3493, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1982, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.356, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3696, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3D:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3421, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3493, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.1982, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.356, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3696, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": 24.7709, "minimum_chain_distance_angstrom": 2.3421, "minimum_core_distance_angstrom": 33.4316, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9801, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2117, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.858, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8241, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3507, \"uniprot_position\": 458}]", "chain_id": "PDB:9E3D:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:W:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3419, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3456, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9801, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3419, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2117, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.858, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8241, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3507, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:W:ZN:1001:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3419, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5561, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.483, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": 503}]", "chain_id": "PDB:9E3D:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:X:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3413, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.2093, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5561, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.483, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3449, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:X:ZN:1002:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3413, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.339, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5162, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7361, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9557, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3248, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 527}]", "chain_id": "PDB:9E3D:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:Y:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3248, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.339, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5162, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7361, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9557, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3248, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:Y:ZN:1003:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3248, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3459, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6132, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8277, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3463, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3D:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Z", "label_seq_id": null, "ligand_instance_id": "PDB:9E3D:LIG:Z:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3388, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3389, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5427, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3459, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6132, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8277, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3463, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3388, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E3D/original.cif", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3D:LIG:Z:ZN:1001:.", "ligand_label_asym_id": "Z", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3388, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3446, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.203, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9204, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.801, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": 458}]", "chain_id": "PDB:9E3R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3407, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3407, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9195, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3446, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.203, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.9204, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.801, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3462, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3504, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3407, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9905, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3403, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6409, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8277, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 503}]", "chain_id": "PDB:9E3R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3403, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9905, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3403, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6409, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8277, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3403, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4685, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7885, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3312, \"uniprot_position\": 527}]", "chain_id": "PDB:9E3R:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3264, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.4685, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3343, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7648, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.7885, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3312, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3264, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5672, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.604, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.7909, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3401, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5672, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.604, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.7909, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3411, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3401, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8663, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3337, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.8663, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3401, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8442, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3337, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.336, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3371, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3R:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3277, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3337, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.336, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3283, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3277, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3371, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3277, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.059, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.215, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0479, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.344, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3435, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.059, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.215, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0479, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.344, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3435, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0759, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8958, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.329, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.0759, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3393, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.8958, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3292, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.329, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3472, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2023, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 333, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9972, \"uniprot_position\": 556}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3409, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3659, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3R:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:KA:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.3409, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3472, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2023, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3522, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 333, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9972, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3409, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3659, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:KA:ZN:1004:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3409, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": 435}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3063, \"uniprot_position\": 437}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": 438}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4097, \"uniprot_position\": 439}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": 455}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 458}]", "chain_id": "PDB:9E3R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.325, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.329, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3063, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4097, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3299, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.325, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": 478}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9729, \"uniprot_position\": 480}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": 481}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3392, \"uniprot_position\": 500}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3438, \"uniprot_position\": 503}]", "chain_id": "PDB:9E3R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3392, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.34, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.9729, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3392, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3438, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3392, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": 490}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0189, \"uniprot_position\": 492}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.349, \"uniprot_position\": 495}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7218, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9158, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": 524}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3542, \"uniprot_position\": 527}]", "chain_id": "PDB:9E3R:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3323, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.0189, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.349, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7218, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 480, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.9158, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3323, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3542, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3323, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": 494}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.516, \"uniprot_position\": 496}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": 497}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.537, \"uniprot_position\": 498}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7401, \"uniprot_position\": 499}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": 514}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3399, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3399, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.516, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3454, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.537, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.7401, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.345, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3402, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3399, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.212, \"uniprot_position\": 539}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": 540}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": 541}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": 559}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.33, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.212, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9463, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3425, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.33, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.33, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3352, \"uniprot_position\": 549}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1071, \"uniprot_position\": 551}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": 554}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": 583}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3R:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"W\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3238, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"W\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3352, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.1071, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3256, \"uniprot_position\": null}, {\"auth_asym_id\": \"W\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3357, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3238, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4644, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5619, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7393, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3443, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3385, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4644, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3458, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.5619, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7393, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3443, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3397, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3385, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.843, \"uniprot_position\": 476}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9618, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.985, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3373, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3346, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.843, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9618, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3429, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.985, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3427, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3373, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3346, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0809, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3253, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3349, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3R:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9E3R:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3247, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3R", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3334, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.0809, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3253, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3349, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3R/original.cif", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3R:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3247, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9805, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.1764, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.8362, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.343, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": 458}]", "chain_id": "PDB:9E3U:CHAIN:L:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:P:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.343, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 418, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3445, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 420, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9805, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 421, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3435, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 422, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.1764, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 423, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.8362, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 437, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.8365, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 438, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.343, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 441, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3508, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:P:ZN:1001:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.343, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.2011, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5647, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.4948, \"uniprot_position\": 483}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": 503}]", "chain_id": "PDB:9E3U:CHAIN:L:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:Q:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3385, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 461, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3385, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 463, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.2011, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 464, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.342, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 465, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5647, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 466, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.4948, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 483, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 486, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:Q:ZN:1002:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3385, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3342, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5471, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3333, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.7895, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9058, \"uniprot_position\": 523}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": 527}]", "chain_id": "PDB:9E3U:CHAIN:L:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 3 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"5\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"L\", \"sequence_length\": 773, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:R:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3238, "nearest_polypeptide_label_asym_id": "L", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 473, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3342, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 475, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.5471, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 478, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3333, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 479, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.7895, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"503\", \"component\": \"SER\", \"entity_position\": 506, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.9058, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 507, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3238, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 510, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 2.3346, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:R:ZN:1003:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3238, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "L", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5593, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3467, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.6072, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.7993, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3404, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:S:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3404, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3415, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5593, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3467, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.6072, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.7993, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3452, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3404, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:S:ZN:1001:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3404, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.8764, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8311, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3356, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:T:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.335, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.8764, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8311, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3412, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3356, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:T:ZN:1002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.335, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3426, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:U:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3284, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3362, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3426, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3291, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3377, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:U:ZN:1003:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3284, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": 494}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.0552, \"uniprot_position\": 496}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": 497}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.2206, \"uniprot_position\": 498}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.0544, \"uniprot_position\": 499}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": 514}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3443, \"uniprot_position\": 517}]", "chain_id": "PDB:9E3U:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:W:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3436, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3436, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.0552, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.2206, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.0544, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3442, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3443, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:W:ZN:1001:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3436, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3312, \"uniprot_position\": 537}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.084, \"uniprot_position\": 539}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 540}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.8981, \"uniprot_position\": 541}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3438, \"uniprot_position\": 559}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": 562}]", "chain_id": "PDB:9E3U:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:X:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3298, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3312, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.084, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.8981, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3438, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3298, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:X:ZN:1002:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3298, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": 549}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.1944, \"uniprot_position\": 551}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": 554}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": 583}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3633, \"uniprot_position\": 586}]", "chain_id": "PDB:9E3U:CHAIN:O:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"Y\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"O\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:9E3U:LIG:Y:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3413, "nearest_polypeptide_label_asym_id": "O", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9E3U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3473, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 4.1944, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3498, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3413, \"uniprot_position\": null}, {\"auth_asym_id\": \"Y\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"O\", \"minimum_distance_angstrom\": 2.3633, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9E3U/original.cif", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9E3U:LIG:Y:ZN:1003:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3413, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "O", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 549, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": 549}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 551, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7448, \"uniprot_position\": 551}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 554, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": 554}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 583, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": 583}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 585, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7588, \"uniprot_position\": 585}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 586, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3164, \"uniprot_position\": 586}]", "chain_id": "PDB:9LQ1:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:G:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3164, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 549, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3301, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 551, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7448, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 554, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3247, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 583, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3232, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 585, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7588, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 586, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3164, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:G:ZN:1001:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3164, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 537, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": 537}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 539, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.411, \"uniprot_position\": 539}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 540, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": 540}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 559, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": 559}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 562, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": 562}]", "chain_id": "PDB:9LQ1:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:H:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3217, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 537, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3321, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 539, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.411, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 540, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.325, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 559, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3217, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 562, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3335, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:H:ZN:1002:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3217, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 494, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3904, \"uniprot_position\": 494}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 497, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2924, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 499, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6499, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 514, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": 514}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 516, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.937, \"uniprot_position\": 516}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 517, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2976, \"uniprot_position\": 517}]", "chain_id": "PDB:9LQ1:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:I:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2924, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 494, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3904, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 497, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2924, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 499, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6499, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 514, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 516, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.937, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 517, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2976, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:I:ZN:1003:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2924, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 549, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 549}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 551, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7191, \"uniprot_position\": 551}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 554, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3202, \"uniprot_position\": 554}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 582, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9681, \"uniprot_position\": 582}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 583, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": 583}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 585, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.847, \"uniprot_position\": 585}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 586, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3144, \"uniprot_position\": 586}]", "chain_id": "PDB:9LQ1:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "J", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:J:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3144, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 549, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 551, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7191, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 554, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3202, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 582, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9681, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 583, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 585, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.847, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 586, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3144, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:J:ZN:1001:.", "ligand_label_asym_id": "J", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3144, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 494, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": 494}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 496, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7481, \"uniprot_position\": 496}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 497, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2936, \"uniprot_position\": 497}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 514, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2942, \"uniprot_position\": 514}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 516, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7721, \"uniprot_position\": 516}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 517, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2959, \"uniprot_position\": 517}]", "chain_id": "PDB:9LQ1:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:K:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.2936, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 494, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.0492, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 496, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7481, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 497, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2936, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 514, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2942, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"516\", \"component\": \"ASN\", \"entity_position\": 516, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7721, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 517, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2959, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:K:ZN:1002:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2936, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 537, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": 537}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 539, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5534, \"uniprot_position\": 539}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 540, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 540}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 559, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3183, \"uniprot_position\": 559}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 562, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": 562}]", "chain_id": "PDB:9LQ1:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 1 of DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 912, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:9LQ1:LIG:L:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3183, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9LQ1", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 537, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3326, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 539, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5534, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 540, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 559, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3183, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 562, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.3274, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9LQ1/original.cif", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9LQ1:LIG:L:ZN:1003:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3183, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4199, \"uniprot_position\": 494}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4501, \"uniprot_position\": 496}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4314, \"uniprot_position\": 497}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6753, \"uniprot_position\": 498}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8705, \"uniprot_position\": 499}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4339, \"uniprot_position\": 514}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4549, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"R\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4199, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4199, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.4501, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4314, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.6753, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.8705, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4339, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4549, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4199, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:AA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4262, \"uniprot_position\": 537}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0496, \"uniprot_position\": 539}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4212, \"uniprot_position\": 540}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8258, \"uniprot_position\": 541}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4275, \"uniprot_position\": 559}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4508, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"R\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4212, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4262, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.0496, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4212, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8258, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4275, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4508, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4212, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4419, \"uniprot_position\": 549}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9634, \"uniprot_position\": 551}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4544, \"uniprot_position\": 554}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.907, \"uniprot_position\": 582}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4241, \"uniprot_position\": 583}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4664, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"R\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4241, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"R\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4419, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9634, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4544, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.907, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4241, \"uniprot_position\": null}, {\"auth_asym_id\": \"R\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4664, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4241, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4235, \"uniprot_position\": 494}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5925, \"uniprot_position\": 496}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4283, \"uniprot_position\": 497}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5532, \"uniprot_position\": 498}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": 499}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4299, \"uniprot_position\": 514}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5021, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"S\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:EA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4235, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4235, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5925, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4283, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5532, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.726, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4299, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5021, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:EA:ZN:1001:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4235, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9666, \"uniprot_position\": 476}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": 537}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9935, \"uniprot_position\": 539}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4175, \"uniprot_position\": 540}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9269, \"uniprot_position\": 541}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9086, \"uniprot_position\": 542}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5915, \"uniprot_position\": 543}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4164, \"uniprot_position\": 559}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.442, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"S\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:FA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4164, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"476\", \"component\": \"ARG\", \"entity_position\": 253, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9666, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9935, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4175, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9269, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9086, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5915, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4164, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.442, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:FA:ZN:1002:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4164, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4177, \"uniprot_position\": 549}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0486, \"uniprot_position\": 551}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": 554}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9015, \"uniprot_position\": 582}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4127, \"uniprot_position\": 583}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9944, \"uniprot_position\": 585}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4357, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"S\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "GA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:GA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4127, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"S\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4177, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.0486, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9015, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4127, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.9944, \"uniprot_position\": null}, {\"auth_asym_id\": \"S\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4357, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:GA:ZN:1003:.", "ligand_label_asym_id": "GA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4127, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4192, \"uniprot_position\": 494}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": 496}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4397, \"uniprot_position\": 497}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6541, \"uniprot_position\": 498}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7949, \"uniprot_position\": 499}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4337, \"uniprot_position\": 514}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4694, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"T\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:IA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4192, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4192, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.4433, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4397, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.6541, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7949, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4337, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4694, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:IA:ZN:1001:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4192, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4473, \"uniprot_position\": 537}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0343, \"uniprot_position\": 539}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4445, \"uniprot_position\": 540}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9685, \"uniprot_position\": 541}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8631, \"uniprot_position\": 542}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5701, \"uniprot_position\": 543}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4204, \"uniprot_position\": 559}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4406, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"T\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:JA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4204, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4473, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.0343, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4445, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9685, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.8631, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.5701, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4204, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4406, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:JA:ZN:1002:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4204, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4324, \"uniprot_position\": 494}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5525, \"uniprot_position\": 496}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.43, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6785, \"uniprot_position\": 498}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8421, \"uniprot_position\": 499}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4475, \"uniprot_position\": 514}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4788, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:K:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.43, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4324, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5525, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.43, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6785, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8421, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4475, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4788, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:K:ZN:1001:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.43, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:K:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4305, \"uniprot_position\": 549}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.965, \"uniprot_position\": 551}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4438, \"uniprot_position\": 554}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9674, \"uniprot_position\": 582}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4244, \"uniprot_position\": 583}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4565, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:G:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"T\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "KA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:KA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4244, "nearest_polypeptide_label_asym_id": "G", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"T\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4305, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.965, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4438, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9674, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4244, \"uniprot_position\": null}, {\"auth_asym_id\": \"T\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 2.4565, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:KA:ZN:1003:.", "ligand_label_asym_id": "KA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4244, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "G", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4234, \"uniprot_position\": 537}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7266, \"uniprot_position\": 539}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4453, \"uniprot_position\": 540}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8846, \"uniprot_position\": 541}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8492, \"uniprot_position\": 542}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5727, \"uniprot_position\": 543}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4786, \"uniprot_position\": 559}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4659, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "L", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:L:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4234, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4234, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7266, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4453, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8846, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8492, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5727, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4786, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4659, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:L:ZN:1002:.", "ligand_label_asym_id": "L", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4234, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4147, \"uniprot_position\": 549}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8793, \"uniprot_position\": 551}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4356, \"uniprot_position\": 554}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9207, \"uniprot_position\": 582}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4162, \"uniprot_position\": 583}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4336, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:M:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4147, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4147, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8793, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4356, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9207, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4162, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4336, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:M:ZN:1003:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4147, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4306, \"uniprot_position\": 494}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5441, \"uniprot_position\": 496}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4295, \"uniprot_position\": 497}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5584, \"uniprot_position\": 498}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8178, \"uniprot_position\": 499}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4501, \"uniprot_position\": 514}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4823, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:MA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4295, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4306, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5441, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4295, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.5584, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8178, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4501, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4823, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:MA:ZN:1001:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4295, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4318, \"uniprot_position\": 537}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8767, \"uniprot_position\": 539}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4509, \"uniprot_position\": 540}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7561, \"uniprot_position\": 541}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8327, \"uniprot_position\": 542}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4118, \"uniprot_position\": 543}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4939, \"uniprot_position\": 559}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4796, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:NA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4318, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4318, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8767, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4509, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.7561, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.8327, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.4118, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4939, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4796, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:NA:ZN:1002:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4318, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4298, \"uniprot_position\": 494}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4378, \"uniprot_position\": 496}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4444, \"uniprot_position\": 497}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.698, \"uniprot_position\": 498}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8137, \"uniprot_position\": 499}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4327, \"uniprot_position\": 514}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:O:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4298, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4298, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.4378, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4444, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.698, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.8137, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4327, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:O:ZN:1001:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4298, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4197, \"uniprot_position\": 549}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.848, \"uniprot_position\": 551}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4381, \"uniprot_position\": 554}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.925, \"uniprot_position\": 582}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4202, \"uniprot_position\": 583}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4418, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:H:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"U\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:OA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4197, "nearest_polypeptide_label_asym_id": "H", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"U\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4197, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.848, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4381, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.925, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4202, \"uniprot_position\": null}, {\"auth_asym_id\": \"U\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.4418, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:OA:ZN:1003:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4197, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "H", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4524, \"uniprot_position\": 537}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0565, \"uniprot_position\": 539}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": 540}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9764, \"uniprot_position\": 541}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8548, \"uniprot_position\": 542}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5509, \"uniprot_position\": 543}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4198, \"uniprot_position\": 559}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4398, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:P:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4198, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4524, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0565, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9764, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.8548, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.5509, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4198, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4398, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:P:ZN:1002:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4198, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4293, \"uniprot_position\": 549}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9431, \"uniprot_position\": 551}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4446, \"uniprot_position\": 554}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9588, \"uniprot_position\": 582}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.427, \"uniprot_position\": 583}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4577, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:B:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:Q:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.427, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4293, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9431, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4446, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9588, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.427, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.4577, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:Q:ZN:1003:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.427, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "B", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4235, \"uniprot_position\": 494}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6073, \"uniprot_position\": 496}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4267, \"uniprot_position\": 497}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5491, \"uniprot_position\": 498}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6896, \"uniprot_position\": 499}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4274, \"uniprot_position\": 514}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5051, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:S:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4235, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4235, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.6073, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4267, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.5491, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.6896, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4274, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.5051, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:S:ZN:1001:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4235, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4237, \"uniprot_position\": 537}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9994, \"uniprot_position\": 539}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4167, \"uniprot_position\": 540}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": 541}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": 542}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.618, \"uniprot_position\": 543}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4148, \"uniprot_position\": 559}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.442, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:T:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4148, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4237, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.9994, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4167, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.8959, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.618, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4148, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.442, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:T:ZN:1002:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4148, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.417, \"uniprot_position\": 549}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0478, \"uniprot_position\": 551}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4397, \"uniprot_position\": 554}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9166, \"uniprot_position\": 582}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4114, \"uniprot_position\": 583}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9822, \"uniprot_position\": 585}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.437, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:C:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"N\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:U:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4114, "nearest_polypeptide_label_asym_id": "C", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"N\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.417, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.0478, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4397, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9166, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.4114, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 4.9822, \"uniprot_position\": null}, {\"auth_asym_id\": \"N\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 2.437, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:U:ZN:1003:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4114, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "C", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4244, \"uniprot_position\": 494}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4661, \"uniprot_position\": 496}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4417, \"uniprot_position\": 497}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6812, \"uniprot_position\": 498}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.847, \"uniprot_position\": 499}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4344, \"uniprot_position\": 514}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4583, \"uniprot_position\": 517}]", "chain_id": "PDB:9MP0:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:W:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4244, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4244, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.4661, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4417, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6812, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.847, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4344, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4583, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:W:ZN:1001:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4244, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.431, \"uniprot_position\": 537}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0173, \"uniprot_position\": 539}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": 540}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8681, \"uniprot_position\": 541}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7669, \"uniprot_position\": 542}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5743, \"uniprot_position\": 543}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4263, \"uniprot_position\": 559}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4566, \"uniprot_position\": 562}]", "chain_id": "PDB:9MP0:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:X:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4249, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.431, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0173, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8681, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.7669, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5743, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4263, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4566, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:X:ZN:1002:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4249, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4375, \"uniprot_position\": 549}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9602, \"uniprot_position\": 551}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4502, \"uniprot_position\": 554}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9443, \"uniprot_position\": 582}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.428, \"uniprot_position\": 583}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4661, \"uniprot_position\": 586}]", "chain_id": "PDB:9MP0:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"O\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Y", "label_seq_id": null, "ligand_instance_id": "PDB:9MP0:LIG:Y:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.428, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MP0", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"O\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4375, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9602, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4502, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.9443, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.428, \"uniprot_position\": null}, {\"auth_asym_id\": \"O\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4661, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MP0/original.cif", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MP0:LIG:Y:ZN:1003:.", "ligand_label_asym_id": "Y", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.428, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MP0:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": 494}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1876, \"uniprot_position\": 496}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.428, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.597, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9177, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.469, \"uniprot_position\": 514}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4377, \"uniprot_position\": 517}]", "chain_id": "PDB:9MPO:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:G:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4249, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4249, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1876, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.428, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.597, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9177, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.469, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4377, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:G:ZN:1001:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4249, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4488, \"uniprot_position\": 537}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3687, \"uniprot_position\": 539}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4527, \"uniprot_position\": 540}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8746, \"uniprot_position\": 541}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.543, \"uniprot_position\": 542}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.573, \"uniprot_position\": 543}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4483, \"uniprot_position\": 559}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": 562}]", "chain_id": "PDB:9MPO:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:H:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4483, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4488, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3687, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4527, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8746, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.543, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.573, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4483, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:H:ZN:1002:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4483, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4301, \"uniprot_position\": 549}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7682, \"uniprot_position\": 551}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4605, \"uniprot_position\": 554}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5001, \"uniprot_position\": 583}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.488, \"uniprot_position\": 586}]", "chain_id": "PDB:9MPO:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "I", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:I:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4301, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4301, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7682, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4605, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5001, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.488, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:I:ZN:1003:.", "ligand_label_asym_id": "I", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4301, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4248, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4286, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5978, \"uniprot_position\": 498}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9172, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4688, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": 517}]", "chain_id": "PDB:9MPO:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "M", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:M:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4248, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4248, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.187, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4286, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5978, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.9172, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4688, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4384, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:M:ZN:1001:.", "ligand_label_asym_id": "M", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4248, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4487, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3687, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4521, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8748, \"uniprot_position\": 541}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5438, \"uniprot_position\": 542}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5734, \"uniprot_position\": 543}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4489, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4589, \"uniprot_position\": 562}]", "chain_id": "PDB:9MPO:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "N", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:N:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4487, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4487, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.3687, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4521, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8748, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5438, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5734, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4489, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4589, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:N:ZN:1002:.", "ligand_label_asym_id": "N", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4487, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4308, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7682, \"uniprot_position\": 551}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4605, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4874, \"uniprot_position\": 586}]", "chain_id": "PDB:9MPO:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:O:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4308, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4308, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7682, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4605, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4874, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:O:ZN:1003:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4308, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4251, \"uniprot_position\": 494}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1871, \"uniprot_position\": 496}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4278, \"uniprot_position\": 497}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.597, \"uniprot_position\": 498}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9173, \"uniprot_position\": 499}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4694, \"uniprot_position\": 514}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4374, \"uniprot_position\": 517}]", "chain_id": "PDB:9MPO:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:Q:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4251, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4251, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.1871, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4278, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.597, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9173, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4694, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4374, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:Q:ZN:1001:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4251, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4491, \"uniprot_position\": 537}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3685, \"uniprot_position\": 539}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4526, \"uniprot_position\": 540}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8753, \"uniprot_position\": 541}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5429, \"uniprot_position\": 542}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5736, \"uniprot_position\": 543}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4485, \"uniprot_position\": 559}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": 562}]", "chain_id": "PDB:9MPO:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:R:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.4485, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4491, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.3685, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4526, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.8753, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5429, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 4.5736, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4485, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.459, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:R:ZN:1002:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4485, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4314, \"uniprot_position\": 549}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.768, \"uniprot_position\": 551}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4597, \"uniprot_position\": 554}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": 583}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.487, \"uniprot_position\": 586}]", "chain_id": "PDB:9MPO:CHAIN:E:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"E\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"E\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:S:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4314, "nearest_polypeptide_label_asym_id": "E", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4314, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.768, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.4597, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": null}, {\"auth_asym_id\": \"E\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 2.487, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:S:ZN:1003:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4314, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "E", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4254, \"uniprot_position\": 494}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1872, \"uniprot_position\": 496}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4272, \"uniprot_position\": 497}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5965, \"uniprot_position\": 498}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9175, \"uniprot_position\": 499}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4697, \"uniprot_position\": 514}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4374, \"uniprot_position\": 517}]", "chain_id": "PDB:9MPO:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "U", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:U:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.4254, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4254, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1872, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4272, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5965, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9175, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4697, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4374, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:U:ZN:1001:.", "ligand_label_asym_id": "U", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4254, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.448, \"uniprot_position\": 537}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3682, \"uniprot_position\": 539}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4526, \"uniprot_position\": 540}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8744, \"uniprot_position\": 541}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5432, \"uniprot_position\": 542}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5732, \"uniprot_position\": 543}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4489, \"uniprot_position\": 559}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4589, \"uniprot_position\": 562}]", "chain_id": "PDB:9MPO:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:V:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.448, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.448, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.3682, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4526, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8744, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5432, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5732, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4489, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4589, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:V:ZN:1002:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.448, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4304, \"uniprot_position\": 549}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7675, \"uniprot_position\": 551}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4606, \"uniprot_position\": 554}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": 583}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4878, \"uniprot_position\": 586}]", "chain_id": "PDB:9MPO:CHAIN:F:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"F\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:9MPO:LIG:W:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.4304, "nearest_polypeptide_label_asym_id": "F", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPO", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4304, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7675, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4606, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5004, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4878, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPO/original.cif", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPO:LIG:W:ZN:1003:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.4304, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "F", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3911, \"uniprot_position\": 494}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4079, \"uniprot_position\": 496}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3894, \"uniprot_position\": 497}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7646, \"uniprot_position\": 498}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0373, \"uniprot_position\": 499}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3839, \"uniprot_position\": 514}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3847, \"uniprot_position\": 517}]", "chain_id": "PDB:9MPP:CHAIN:K:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:9MPP:LIG:O:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3839, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3911, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4079, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3894, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7646, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0373, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3839, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3847, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPP/original.cif", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPP:LIG:O:ZN:1001:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3839, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4005, \"uniprot_position\": 537}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0043, \"uniprot_position\": 539}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3803, \"uniprot_position\": 540}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6611, \"uniprot_position\": 541}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3798, \"uniprot_position\": 559}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3937, \"uniprot_position\": 562}]", "chain_id": "PDB:9MPP:CHAIN:K:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:9MPP:LIG:P:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3798, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4005, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0043, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3803, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6611, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3798, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3937, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPP/original.cif", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPP:LIG:P:ZN:1002:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3798, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPP:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3624, \"uniprot_position\": 549}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6634, \"uniprot_position\": 551}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3612, \"uniprot_position\": 554}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3561, \"uniprot_position\": 583}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7034, \"uniprot_position\": 585}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": 586}]", "chain_id": "PDB:9MPP:CHAIN:K:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"M\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9MPP:LIG:Q:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3561, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9MPP", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"M\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3624, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6634, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3612, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3561, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7034, \"uniprot_position\": null}, {\"auth_asym_id\": \"M\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3621, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Unclassified_Review/9MPP/original.cif", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9MPP:LIG:Q:ZN:1003:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3561, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0932, \"uniprot_position\": 494}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"ILE\", \"entity_position\": 216, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9921, \"uniprot_position\": 495}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4011, \"uniprot_position\": 496}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.9137, \"uniprot_position\": 497}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5341, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4395, \"uniprot_position\": 499}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.8828, \"uniprot_position\": 514}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.04, \"uniprot_position\": 517}]", "chain_id": "PDB:9PRW:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:F:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 1.8828, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0932, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"495\", \"component\": \"ILE\", \"entity_position\": 216, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9921, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4011, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.9137, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5341, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4395, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.8828, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.04, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:F:ZN:1002:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.8828, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5276, \"uniprot_position\": 537}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1935, \"uniprot_position\": 539}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0468, \"uniprot_position\": 540}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.883, \"uniprot_position\": 541}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.9835, \"uniprot_position\": 559}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1932, \"uniprot_position\": 562}]", "chain_id": "PDB:9PRW:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "G", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:G:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 1.9835, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5276, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1935, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0468, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.883, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 1.9835, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1932, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:G:ZN:1003:.", "ligand_label_asym_id": "G", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.9835, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5036, \"uniprot_position\": 549}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.769, \"uniprot_position\": 551}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2011, \"uniprot_position\": 554}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3458, \"uniprot_position\": 582}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1482, \"uniprot_position\": 583}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5598, \"uniprot_position\": 586}]", "chain_id": "PDB:9PRW:CHAIN:A:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:H:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 2.1482, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5036, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 272, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.769, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2011, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3458, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1482, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5598, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:H:ZN:1004:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1482, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1975, \"uniprot_position\": 494}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.669, \"uniprot_position\": 496}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1989, \"uniprot_position\": 497}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5693, \"uniprot_position\": 498}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0985, \"uniprot_position\": 499}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.192, \"uniprot_position\": 513}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.494, \"uniprot_position\": 514}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2993, \"uniprot_position\": 517}]", "chain_id": "PDB:9PRW:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:P:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.1975, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 215, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1975, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 217, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.669, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 218, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1989, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 219, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.5693, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 220, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.0985, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 234, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.192, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 235, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.494, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 238, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2993, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:P:ZN:1002:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": 7.1142, "minimum_chain_distance_angstrom": 2.1975, "minimum_core_distance_angstrom": 7.1142, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4951, \"uniprot_position\": 537}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5295, \"uniprot_position\": 539}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2972, \"uniprot_position\": 540}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.487, \"uniprot_position\": 541}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8032, \"uniprot_position\": 542}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4966, \"uniprot_position\": 559}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.0945, \"uniprot_position\": 562}]", "chain_id": "PDB:9PRW:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:Q:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.0945, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 258, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4951, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 260, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.5295, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 261, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.2972, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 262, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.487, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 263, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.8032, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.4966, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 283, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.0945, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:Q:ZN:1003:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 6.6187, "minimum_chain_distance_angstrom": 2.0945, "minimum_core_distance_angstrom": 6.6187, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5153, \"uniprot_position\": 549}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1898, \"uniprot_position\": 554}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6538, \"uniprot_position\": 556}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.629, \"uniprot_position\": 582}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1797, \"uniprot_position\": 583}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.921, \"uniprot_position\": 586}]", "chain_id": "PDB:9PRW:CHAIN:D:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"D\"]", "auth_seq_id": "1004", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"D\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:9PRW:LIG:R:ZN:1004:.", "nearest_polypeptide_distance_angstrom": 1.921, "nearest_polypeptide_label_asym_id": "D", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9PRW", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 270, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.5153, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 275, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1898, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"556\", \"component\": \"ARG\", \"entity_position\": 277, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.6538, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 303, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 4.629, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 304, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 2.1797, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 307, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 1.921, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9PRW/original.cif", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9PRW:LIG:R:ZN:1004:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 17.4385, "minimum_chain_distance_angstrom": 1.921, "minimum_core_distance_angstrom": 20.4649, "multiple_contacting_mapped_chains": 0, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "D", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9PRW:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2952, \"uniprot_position\": 435}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 227, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8578, \"uniprot_position\": 437}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2891, \"uniprot_position\": 438}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 229, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7342, \"uniprot_position\": 439}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 230, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9093, \"uniprot_position\": 440}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": 454}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2922, \"uniprot_position\": 455}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2848, \"uniprot_position\": 458}]", "chain_id": "PDB:9Q7U:CHAIN:K:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "O", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:O:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.2848, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2952, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 227, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8578, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2891, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 229, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7342, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"420\", \"component\": \"ARG\", \"entity_position\": 230, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.9093, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4387, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2922, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2848, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:O:ZN:1001:.", "ligand_label_asym_id": "O", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2848, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4199, \"uniprot_position\": 478}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"459\", \"component\": \"THR\", \"entity_position\": 269, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1985, \"uniprot_position\": 479}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.8865, \"uniprot_position\": 480}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.7026, \"uniprot_position\": 481}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1706, \"uniprot_position\": 482}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5348, \"uniprot_position\": 500}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2903, \"uniprot_position\": 503}]", "chain_id": "PDB:9Q7U:CHAIN:K:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "P", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:P:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 1.7026, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.4199, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"459\", \"component\": \"THR\", \"entity_position\": 269, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1985, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.8865, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.7026, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1706, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.5348, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2903, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:P:ZN:1002:.", "ligand_label_asym_id": "P", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.7026, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3789, \"uniprot_position\": 490}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8157, \"uniprot_position\": 492}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"474\", \"component\": \"SER\", \"entity_position\": 284, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3813, \"uniprot_position\": 494}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.5517, \"uniprot_position\": 495}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.082, \"uniprot_position\": 496}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2792, \"uniprot_position\": 524}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"506\", \"component\": \"MET\", \"entity_position\": 316, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5777, \"uniprot_position\": 526}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3711, \"uniprot_position\": 527}]", "chain_id": "PDB:9Q7U:CHAIN:K:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"V\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:Q:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 1.5517, "nearest_polypeptide_label_asym_id": "K", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"V\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3789, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8157, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"474\", \"component\": \"SER\", \"entity_position\": 284, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3813, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 1.5517, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.082, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2792, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"506\", \"component\": \"MET\", \"entity_position\": 316, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.5777, \"uniprot_position\": null}, {\"auth_asym_id\": \"V\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.3711, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:Q:ZN:1003:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.5517, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "K", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": 494}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.0018, \"uniprot_position\": 496}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.301, \"uniprot_position\": 497}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.5844, \"uniprot_position\": 498}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.304, \"uniprot_position\": 499}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6252, \"uniprot_position\": 513}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3085, \"uniprot_position\": 514}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2907, \"uniprot_position\": 517}]", "chain_id": "PDB:9Q7U:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "R", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:R:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.2907, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.0018, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.301, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.5844, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.304, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6252, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3085, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2907, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:R:ZN:1001:.", "ligand_label_asym_id": "R", "minimum_Pfam_distance_angstrom": 23.7429, "minimum_chain_distance_angstrom": 2.2907, "minimum_core_distance_angstrom": 28.8188, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:R:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.1241, \"uniprot_position\": 537}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6045, \"uniprot_position\": 538}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.0312, \"uniprot_position\": 539}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 1.7614, \"uniprot_position\": 540}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.3509, \"uniprot_position\": 541}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3699, \"uniprot_position\": 542}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.4986, \"uniprot_position\": 559}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.4327, \"uniprot_position\": 562}]", "chain_id": "PDB:9Q7U:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "S", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:S:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 1.7614, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.1241, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.6045, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.0312, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 1.7614, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.3509, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3699, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.4986, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.4327, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:S:ZN:1002:.", "ligand_label_asym_id": "S", "minimum_Pfam_distance_angstrom": 16.094, "minimum_chain_distance_angstrom": 1.7614, "minimum_core_distance_angstrom": 21.7909, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:S:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3673, \"uniprot_position\": 549}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.677, \"uniprot_position\": 551}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"552\", \"component\": \"ASN\", \"entity_position\": 329, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3582, \"uniprot_position\": 552}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2885, \"uniprot_position\": 554}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"581\", \"component\": \"TRP\", \"entity_position\": 358, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7302, \"uniprot_position\": 581}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.313, \"uniprot_position\": 583}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3631, \"uniprot_position\": 586}]", "chain_id": "PDB:9Q7U:CHAIN:M:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"K\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"M\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "T", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:T:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2885, "nearest_polypeptide_label_asym_id": "M", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"K\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3673, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 3.677, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"552\", \"component\": \"ASN\", \"entity_position\": 329, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.3582, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.2885, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"581\", \"component\": \"TRP\", \"entity_position\": 358, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 4.7302, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.313, \"uniprot_position\": null}, {\"auth_asym_id\": \"K\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"M\", \"minimum_distance_angstrom\": 2.3631, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:T:ZN:1003:.", "ligand_label_asym_id": "T", "minimum_Pfam_distance_angstrom": 20.833, "minimum_chain_distance_angstrom": 2.2885, "minimum_core_distance_angstrom": 29.8587, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "M", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:T:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3749, \"uniprot_position\": 494}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": 497}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8155, \"uniprot_position\": 498}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.0908, \"uniprot_position\": 499}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"501\", \"component\": \"ASN\", \"entity_position\": 278, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8996, \"uniprot_position\": 501}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": 513}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": 514}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3753, \"uniprot_position\": 517}]", "chain_id": "PDB:9Q7U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "V", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:V:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.0908, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3749, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3421, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8155, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.0908, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"501\", \"component\": \"ASN\", \"entity_position\": 278, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.8996, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.5964, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3432, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3753, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:V:ZN:1001:.", "ligand_label_asym_id": "V", "minimum_Pfam_distance_angstrom": 23.3895, "minimum_chain_distance_angstrom": 2.0908, "minimum_core_distance_angstrom": 23.3895, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.2542, \"uniprot_position\": 537}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3263, \"uniprot_position\": 538}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": 539}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 1.9705, \"uniprot_position\": 540}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.9694, \"uniprot_position\": 541}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.361, \"uniprot_position\": 559}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.2721, \"uniprot_position\": 562}]", "chain_id": "PDB:9Q7U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "W", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:W:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 1.9705, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.2542, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.7915, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 1.9705, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.9694, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.361, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.2721, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:W:ZN:1002:.", "ligand_label_asym_id": "W", "minimum_Pfam_distance_angstrom": 18.8048, "minimum_chain_distance_angstrom": 1.9705, "minimum_core_distance_angstrom": 18.8048, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:W:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3831, \"uniprot_position\": 549}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.038, \"uniprot_position\": 551}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"552\", \"component\": \"ASN\", \"entity_position\": 329, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.749, \"uniprot_position\": 552}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.0786, \"uniprot_position\": 554}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": 583}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3701, \"uniprot_position\": 586}]", "chain_id": "PDB:9Q7U:CHAIN:N:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"L\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"N\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "X", "label_seq_id": null, "ligand_instance_id": "PDB:9Q7U:LIG:X:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.0786, "nearest_polypeptide_label_asym_id": "N", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Q7U", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3831, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 3.038, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"552\", \"component\": \"ASN\", \"entity_position\": 329, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 4.749, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.0786, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3266, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"N\", \"minimum_distance_angstrom\": 2.3701, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Q7U/original.cif", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Q7U:LIG:X:ZN:1003:.", "ligand_label_asym_id": "X", "minimum_Pfam_distance_angstrom": 25.5441, "minimum_chain_distance_angstrom": 2.0786, "minimum_core_distance_angstrom": 25.5441, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "N", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Q7U:LIG:X:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3852, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6461, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1726, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3144, \"uniprot_position\": 114}]", "chain_id": "PDB:9T2F:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 332, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:9T2F:LIG:C:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.1726, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3852, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6461, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3191, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1726, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3144, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2F/original.cif", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2F:LIG:C:ZN:502:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 28.7411, "minimum_chain_distance_angstrom": 2.1726, "minimum_core_distance_angstrom": 28.7411, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3816, \"uniprot_position\": 103}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7266, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.357, \"uniprot_position\": 106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5794, \"uniprot_position\": 108}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4319, \"uniprot_position\": 130}]", "chain_id": "PDB:9T2F:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 332, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:9T2F:LIG:D:ZN:503:.", "nearest_polypeptide_distance_angstrom": 2.3311, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3816, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7266, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.357, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5794, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3311, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4319, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2F/original.cif", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2F:LIG:D:ZN:503:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 26.1928, "minimum_chain_distance_angstrom": 2.3311, "minimum_core_distance_angstrom": 26.1928, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.076, \"uniprot_position\": 278}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3856, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.586, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.375, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3347, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.076, \"uniprot_position\": 278}]", "chain_id": "PDB:9T2F:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.076, \"uniprot_position\": 278}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "504", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 332, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:9T2F:LIG:E:ZN:504:.", "nearest_polypeptide_distance_angstrom": 2.076, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2F", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3856, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.586, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.375, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3347, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.076, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2F/original.cif", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2F:LIG:E:ZN:504:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.076, "minimum_chain_distance_angstrom": 2.076, "minimum_core_distance_angstrom": 2.076, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": 278}]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3541, \"uniprot_position\": 255}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5019, \"uniprot_position\": 257}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3534, \"uniprot_position\": 274}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": 278}]", "chain_id": "PDB:9T2G:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": 278}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "501", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.", "nearest_polypeptide_distance_angstrom": 2.1577, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"255\", \"component\": \"CYS\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3541, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"257\", \"component\": \"GLU\", \"entity_position\": 177, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5019, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 178, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2747, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"CYS\", \"entity_position\": 194, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3534, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"278\", \"component\": \"HIS\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1577, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2G/original.cif", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.1577, "minimum_chain_distance_angstrom": 2.1577, "minimum_core_distance_angstrom": 2.1577, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.384, \"uniprot_position\": 91}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6124, \"uniprot_position\": 93}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3103, \"uniprot_position\": 94}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2815, \"uniprot_position\": 111}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3359, \"uniprot_position\": 114}]", "chain_id": "PDB:9T2G:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "502", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:9T2G:LIG:C:ZN:502:.", "nearest_polypeptide_distance_angstrom": 2.2815, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"91\", \"component\": \"CYS\", \"entity_position\": 11, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.384, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"93\", \"component\": \"VAL\", \"entity_position\": 13, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6124, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"94\", \"component\": \"CYS\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3103, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2815, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"114\", \"component\": \"CYS\", \"entity_position\": 34, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3359, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2G/original.cif", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2G:LIG:C:ZN:502:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 27.1745, "minimum_chain_distance_angstrom": 2.2815, "minimum_core_distance_angstrom": 27.1745, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4118, \"uniprot_position\": 103}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7594, \"uniprot_position\": 105}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3691, \"uniprot_position\": 106}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": 108}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3695, \"uniprot_position\": 127}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.298, \"uniprot_position\": 130}]", "chain_id": "PDB:9T2G:CHAIN:A:UP:Q9ULU4", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "gene": "ZMYND8", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"A\"]", "auth_seq_id": "503", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"MYND-type zinc finger-containing chromatin reader ZMYND8\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 326, \"uniprot_ids\": [\"Q9ULU4\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "D", "label_seq_id": null, "ligand_instance_id": "PDB:9T2G:LIG:D:ZN:503:.", "nearest_polypeptide_distance_angstrom": 2.298, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9T2G", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"103\", \"component\": \"CYS\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4118, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"105\", \"component\": \"LEU\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7594, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"106\", \"component\": \"CYS\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3691, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"108\", \"component\": \"ARG\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6454, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"127\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3695, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"130\", \"component\": \"CYS\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.298, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/ZMYND8__HUMAN__Q9ULU4/APO/9T2G/original.cif", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9T2G:LIG:D:ZN:503:.", "ligand_label_asym_id": "D", "minimum_Pfam_distance_angstrom": 24.5215, "minimum_chain_distance_angstrom": 2.298, "minimum_core_distance_angstrom": 24.5215, "multiple_contacting_mapped_chains": 0, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "protein_label_asym_id": "A", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": 435}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.302, \"uniprot_position\": 438}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 229, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5709, \"uniprot_position\": 439}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8954, \"uniprot_position\": 454}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3004, \"uniprot_position\": 455}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"436\", \"component\": \"GLN\", \"entity_position\": 246, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8116, \"uniprot_position\": 456}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"437\", \"component\": \"THR\", \"entity_position\": 247, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.365, \"uniprot_position\": 457}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": 458}]", "chain_id": "PDB:9Y4P:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"b\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "AA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:AA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3004, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3241, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.302, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"419\", \"component\": \"GLY\", \"entity_position\": 229, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.5709, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.8954, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3004, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"436\", \"component\": \"GLN\", \"entity_position\": 246, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.8116, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"437\", \"component\": \"THR\", \"entity_position\": 247, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.365, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3406, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:AA:ZN:1001:.", "ligand_label_asym_id": "AA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3004, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.2511, \"uniprot_position\": 478}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.7053, \"uniprot_position\": 480}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.2679, \"uniprot_position\": 481}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.0859, \"uniprot_position\": 482}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 273, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.706, \"uniprot_position\": 483}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3982, \"uniprot_position\": 500}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"482\", \"component\": \"GLU\", \"entity_position\": 292, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6563, \"uniprot_position\": 502}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3175, \"uniprot_position\": 503}]", "chain_id": "PDB:9Y4P:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"b\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "BA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:BA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.2511, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.2511, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.7053, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.2679, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.0859, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"463\", \"component\": \"GLU\", \"entity_position\": 273, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.706, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3982, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"482\", \"component\": \"GLU\", \"entity_position\": 292, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6563, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3175, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:BA:ZN:1002:.", "ligand_label_asym_id": "BA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2511, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4441, \"uniprot_position\": 490}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9521, \"uniprot_position\": 492}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.0865, \"uniprot_position\": 495}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9493, \"uniprot_position\": 496}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 287, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6251, \"uniprot_position\": 497}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3968, \"uniprot_position\": 524}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4563, \"uniprot_position\": 527}]", "chain_id": "PDB:9Y4P:CHAIN:S:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"b\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"S\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "CA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:CA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.0865, "nearest_polypeptide_label_asym_id": "S", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"b\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4441, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9521, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.0865, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 3.9493, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 287, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 4.6251, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.3968, \"uniprot_position\": null}, {\"auth_asym_id\": \"b\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"S\", \"minimum_distance_angstrom\": 2.4563, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:CA:ZN:1003:.", "ligand_label_asym_id": "CA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0865, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "S", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.2917, \"uniprot_position\": 494}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7302, \"uniprot_position\": 496}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.4354, \"uniprot_position\": 497}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7261, \"uniprot_position\": 498}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.0021, \"uniprot_position\": 499}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6436, \"uniprot_position\": 513}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3675, \"uniprot_position\": 514}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3891, \"uniprot_position\": 517}]", "chain_id": "PDB:9Y4P:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"a\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "DA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:DA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.2917, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.2917, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7302, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.4354, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7261, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.0021, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.6436, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3675, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3891, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:DA:ZN:1001:.", "ligand_label_asym_id": "DA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2917, "minimum_core_distance_angstrom": 21.9643, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": 537}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3397, \"uniprot_position\": 539}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": 540}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5969, \"uniprot_position\": 541}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7504, \"uniprot_position\": 542}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3505, \"uniprot_position\": 559}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3369, \"uniprot_position\": 562}]", "chain_id": "PDB:9Y4P:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"a\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "EA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:EA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.3369, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3455, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.3397, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3479, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.5969, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.7504, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3505, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3369, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:EA:ZN:1002:.", "ligand_label_asym_id": "EA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3369, "minimum_core_distance_angstrom": 15.4655, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3477, \"uniprot_position\": 549}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.5059, \"uniprot_position\": 551}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": 554}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8259, \"uniprot_position\": 582}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": 583}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8481, \"uniprot_position\": 585}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3127, \"uniprot_position\": 586}]", "chain_id": "PDB:9Y4P:CHAIN:U:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"a\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"U\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "FA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:FA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.3127, "nearest_polypeptide_label_asym_id": "U", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"a\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3477, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 3.5059, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3314, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8259, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3264, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 4.8481, \"uniprot_position\": null}, {\"auth_asym_id\": \"a\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"U\", \"minimum_distance_angstrom\": 2.3127, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:FA:ZN:1003:.", "ligand_label_asym_id": "FA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3127, "minimum_core_distance_angstrom": 19.5467, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "U", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3789, \"uniprot_position\": 494}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": 496}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": 497}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.4412, \"uniprot_position\": 498}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.7328, \"uniprot_position\": 499}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3196, \"uniprot_position\": 514}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3124, \"uniprot_position\": 517}]", "chain_id": "PDB:9Y4P:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"c\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "HA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:HA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3124, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3789, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.4257, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3556, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.4412, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.7328, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3196, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3124, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:HA:ZN:1001:.", "ligand_label_asym_id": "HA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3124, "minimum_core_distance_angstrom": 35.8065, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.0694, \"uniprot_position\": 537}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9207, \"uniprot_position\": 538}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.612, \"uniprot_position\": 539}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2697, \"uniprot_position\": 540}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2317, \"uniprot_position\": 541}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.4934, \"uniprot_position\": 542}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.4461, \"uniprot_position\": 543}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2955, \"uniprot_position\": 559}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3261, \"uniprot_position\": 562}]", "chain_id": "PDB:9Y4P:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"c\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "IA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:IA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.0694, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.0694, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.9207, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.612, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2697, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.2317, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.4934, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.4461, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2955, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3261, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:IA:ZN:1002:.", "ligand_label_asym_id": "IA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.0694, "minimum_core_distance_angstrom": 25.0222, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2906, \"uniprot_position\": 549}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.3612, \"uniprot_position\": 551}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": 554}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.5087, \"uniprot_position\": 582}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": 583}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": 586}]", "chain_id": "PDB:9Y4P:CHAIN:V:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"c\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"V\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "JA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:JA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2906, "nearest_polypeptide_label_asym_id": "V", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"c\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.2906, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 3.3612, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.335, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 4.5087, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3244, \"uniprot_position\": null}, {\"auth_asym_id\": \"c\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"V\", \"minimum_distance_angstrom\": 2.3441, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:JA:ZN:1003:.", "ligand_label_asym_id": "JA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2906, "minimum_core_distance_angstrom": 22.8336, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "V", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2854, \"uniprot_position\": 435}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 227, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.746, \"uniprot_position\": 437}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3363, \"uniprot_position\": 438}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": 454}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2663, \"uniprot_position\": 455}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"437\", \"component\": \"THR\", \"entity_position\": 247, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4454, \"uniprot_position\": 457}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2357, \"uniprot_position\": 458}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"439\", \"component\": \"ARG\", \"entity_position\": 249, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7471, \"uniprot_position\": 459}]", "chain_id": "PDB:9Y4P:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"e\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "LA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:LA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.2357, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"415\", \"component\": \"CYS\", \"entity_position\": 225, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2854, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"417\", \"component\": \"SER\", \"entity_position\": 227, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.746, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"418\", \"component\": \"CYS\", \"entity_position\": 228, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3363, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"434\", \"component\": \"LEU\", \"entity_position\": 244, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.7723, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"435\", \"component\": \"CYS\", \"entity_position\": 245, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2663, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"437\", \"component\": \"THR\", \"entity_position\": 247, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.4454, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"438\", \"component\": \"CYS\", \"entity_position\": 248, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2357, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"439\", \"component\": \"ARG\", \"entity_position\": 249, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.7471, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:LA:ZN:1001:.", "ligand_label_asym_id": "LA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2357, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3713, \"uniprot_position\": 478}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.2471, \"uniprot_position\": 480}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.1064, \"uniprot_position\": 481}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1566, \"uniprot_position\": 482}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3733, \"uniprot_position\": 500}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3916, \"uniprot_position\": 503}]", "chain_id": "PDB:9Y4P:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"e\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "MA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:MA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.1064, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"458\", \"component\": \"CYS\", \"entity_position\": 268, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3713, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"460\", \"component\": \"VAL\", \"entity_position\": 270, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.2471, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"461\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.1064, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"462\", \"component\": \"CYS\", \"entity_position\": 272, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1566, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"480\", \"component\": \"CYS\", \"entity_position\": 290, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3733, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"483\", \"component\": \"CYS\", \"entity_position\": 293, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3916, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:MA:ZN:1002:.", "ligand_label_asym_id": "MA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1064, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3154, \"uniprot_position\": 490}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3623, \"uniprot_position\": 492}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.1806, \"uniprot_position\": 495}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1933, \"uniprot_position\": 496}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 287, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.8161, \"uniprot_position\": 497}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2849, \"uniprot_position\": 524}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"506\", \"component\": \"MET\", \"entity_position\": 316, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1521, \"uniprot_position\": 526}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": 527}]", "chain_id": "PDB:9Y4P:CHAIN:W:UP:Q9UBC3", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3B", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"e\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"Isoform 7 of DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"8\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"W\", \"sequence_length\": 580, \"uniprot_ids\": [\"Q9UBC3\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "NA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:NA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.1806, "nearest_polypeptide_label_asym_id": "W", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"e\", \"auth_seq_id\": \"470\", \"component\": \"CYS\", \"entity_position\": 280, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3154, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"472\", \"component\": \"ASN\", \"entity_position\": 282, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 3.3623, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"475\", \"component\": \"CYS\", \"entity_position\": 285, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.1806, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"476\", \"component\": \"CYS\", \"entity_position\": 286, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1933, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"477\", \"component\": \"ARG\", \"entity_position\": 287, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.8161, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"504\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.2849, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"506\", \"component\": \"MET\", \"entity_position\": 316, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 4.1521, \"uniprot_position\": null}, {\"auth_asym_id\": \"e\", \"auth_seq_id\": \"507\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"W\", \"minimum_distance_angstrom\": 2.3284, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:NA:ZN:1003:.", "ligand_label_asym_id": "NA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1806, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "protein_label_asym_id": "W", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2949, \"uniprot_position\": 494}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0695, \"uniprot_position\": 496}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3216, \"uniprot_position\": 497}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5518, \"uniprot_position\": 498}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5402, \"uniprot_position\": 513}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": 514}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2199, \"uniprot_position\": 517}]", "chain_id": "PDB:9Y4P:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"f\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "OA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:OA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.2199, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2949, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"496\", \"component\": \"SER\", \"entity_position\": 273, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0695, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3216, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5518, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.5402, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3294, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2199, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:OA:ZN:1001:.", "ligand_label_asym_id": "OA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2199, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.22, \"uniprot_position\": 537}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9567, \"uniprot_position\": 538}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.6548, \"uniprot_position\": 539}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3183, \"uniprot_position\": 540}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2601, \"uniprot_position\": 541}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0631, \"uniprot_position\": 542}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.6516, \"uniprot_position\": 543}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": 559}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3048, \"uniprot_position\": 562}]", "chain_id": "PDB:9Y4P:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"f\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "PA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:PA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 2.22, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.22, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"538\", \"component\": \"THR\", \"entity_position\": 315, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.9567, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"539\", \"component\": \"ILE\", \"entity_position\": 316, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.6548, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3183, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"541\", \"component\": \"CYS\", \"entity_position\": 318, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.2601, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.0631, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.6516, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3224, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3048, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:PA:ZN:1002:.", "ligand_label_asym_id": "PA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.22, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2663, \"uniprot_position\": 549}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.4094, \"uniprot_position\": 551}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3112, \"uniprot_position\": 554}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.7787, \"uniprot_position\": 582}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2931, \"uniprot_position\": 583}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": 586}]", "chain_id": "PDB:9Y4P:CHAIN:Y:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"f\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Y\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "QA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:QA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.2663, "nearest_polypeptide_label_asym_id": "Y", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"f\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2663, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 3.4094, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.3112, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"582\", \"component\": \"ASN\", \"entity_position\": 359, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 4.7787, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2931, \"uniprot_position\": null}, {\"auth_asym_id\": \"f\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Y\", \"minimum_distance_angstrom\": 2.2937, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:QA:ZN:1003:.", "ligand_label_asym_id": "QA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.2663, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Y", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3472, \"uniprot_position\": 494}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3104, \"uniprot_position\": 497}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7711, \"uniprot_position\": 498}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.0196, \"uniprot_position\": 499}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7617, \"uniprot_position\": 513}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": 514}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3079, \"uniprot_position\": 517}]", "chain_id": "PDB:9Y4P:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"d\"]", "auth_seq_id": "1001", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "SA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:SA:ZN:1001:.", "nearest_polypeptide_distance_angstrom": 2.3079, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"494\", \"component\": \"CYS\", \"entity_position\": 271, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3472, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"497\", \"component\": \"CYS\", \"entity_position\": 274, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3104, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"498\", \"component\": \"GLY\", \"entity_position\": 275, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7711, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"499\", \"component\": \"SER\", \"entity_position\": 276, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.0196, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"513\", \"component\": \"MET\", \"entity_position\": 290, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7617, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"514\", \"component\": \"CYS\", \"entity_position\": 291, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3173, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"517\", \"component\": \"CYS\", \"entity_position\": 294, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3079, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:SA:ZN:1001:.", "ligand_label_asym_id": "SA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.3079, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.4953, \"uniprot_position\": 537}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.406, \"uniprot_position\": 540}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7305, \"uniprot_position\": 542}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": 543}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"545\", \"component\": \"GLU\", \"entity_position\": 322, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9549, \"uniprot_position\": 545}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"546\", \"component\": \"VAL\", \"entity_position\": 323, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8188, \"uniprot_position\": 546}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"558\", \"component\": \"PHE\", \"entity_position\": 335, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7778, \"uniprot_position\": 558}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 1.69, \"uniprot_position\": 559}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"560\", \"component\": \"VAL\", \"entity_position\": 337, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8997, \"uniprot_position\": 560}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3976, \"uniprot_position\": 562}]", "chain_id": "PDB:9Y4P:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"d\"]", "auth_seq_id": "1002", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "TA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:TA:ZN:1002:.", "nearest_polypeptide_distance_angstrom": 1.69, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"537\", \"component\": \"CYS\", \"entity_position\": 314, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.4953, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"540\", \"component\": \"CYS\", \"entity_position\": 317, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.406, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"542\", \"component\": \"GLY\", \"entity_position\": 319, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7305, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"543\", \"component\": \"GLY\", \"entity_position\": 320, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8213, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"545\", \"component\": \"GLU\", \"entity_position\": 322, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.9549, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"546\", \"component\": \"VAL\", \"entity_position\": 323, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8188, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"558\", \"component\": \"PHE\", \"entity_position\": 335, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.7778, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"559\", \"component\": \"CYS\", \"entity_position\": 336, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 1.69, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"560\", \"component\": \"VAL\", \"entity_position\": 337, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.8997, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"562\", \"component\": \"CYS\", \"entity_position\": 339, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3976, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:TA:ZN:1002:.", "ligand_label_asym_id": "TA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 1.69, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "ZN", "chain_contacts_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3749, \"uniprot_position\": 549}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.1509, \"uniprot_position\": 551}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.1023, \"uniprot_position\": 554}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": 583}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4487, \"uniprot_position\": 585}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3598, \"uniprot_position\": 586}]", "chain_id": "PDB:9Y4P:CHAIN:Z:UP:Q9Y6K1", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "contact_distance_rank": 1, "core_contacts_5A": "[]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "gene": "DNMT3A", "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion", "instance": { "alternate_locations": "[]", "auth_asym_ids": "[\"d\"]", "auth_seq_id": "1003", "ccd_id": "ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "component_context": "nonpolymer_component", "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 1, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "UA", "label_seq_id": null, "ligand_instance_id": "PDB:9Y4P:LIG:UA:ZN:1003:.", "nearest_polypeptide_distance_angstrom": 2.1023, "nearest_polypeptide_label_asym_id": "Z", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9Y4P", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"549\", \"component\": \"CYS\", \"entity_position\": 326, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3749, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"551\", \"component\": \"ASN\", \"entity_position\": 328, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.1509, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"554\", \"component\": \"CYS\", \"entity_position\": 331, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.1023, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"583\", \"component\": \"CYS\", \"entity_position\": 360, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3263, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"585\", \"component\": \"MET\", \"entity_position\": 362, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.4487, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"586\", \"component\": \"CYS\", \"entity_position\": 363, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.3598, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "unique_heavy_atom_names": 1 }, "ligand_instance_id": "PDB:9Y4P:LIG:UA:ZN:1003:.", "ligand_label_asym_id": "UA", "minimum_Pfam_distance_angstrom": null, "minimum_chain_distance_angstrom": 2.1023, "minimum_core_distance_angstrom": null, "multiple_contacting_mapped_chains": 0, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "protein_label_asym_id": "Z", "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.", "role": "ion/cofactor_requires_context", "role_category": "incidental", "site_id": "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 10, "context_pdb_count": 46, "context_negative_count": 0, "context_is_probe": false, "context_bioactivity_only": false, "context_kind": "PWWP-proximal structure", "science": { "studied_compound": false, "measured_count": 0, "structural_research_ligand": false, "research_pdb_count": 0, "other_component": false, "component_site_count": 0, "verification_queue": true, "positive_direct_binder": false, "reported_probe": false, "reported_control": false, "cellular_activity": false, "protein_degradation": false, "bioactivity_only": false, "research_site_count": 0, "unknown_site_count": 379, "annotation_roles": [ "unresolved" ] }, "science_label": "Identity / evidence review pending", "science_profile": { "annotation_roles": [ "unresolved" ], "cellular_activity": false, "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "ZINC ION", "other_pdb_component": false, "other_site_count": 0, "positive_direct_binder": false, "primary_view": "unresolved", "protein_degradation": false, "reported_control": false, "reported_probe": false, "rule": "Independent source observations + per-site coordinate role, not universal pharmacology", "source_observation_ids": [], "source_site_ids": [ "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:8EIH:LIG:G:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C", "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C", "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D", "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9PRW:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9MPO:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D", "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E", "PDB:8EIK:LIG:T:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:E", "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E", "PDB:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:11OA:LIG:WA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:7CRO:LIG:M:ZN:1402:.:SITE:UP:O96028:PWWP2:K", "PDB:7CRO:LIG:N:ZN:1403:.:SITE:UP:O96028:PWWP2:K", "PDB:7CRP:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRR:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRQ:LIG:N:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRQ:LIG:O:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRR:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRP:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRO:LIG:O:ZN:1404:.:SITE:UP:O96028:PWWP2:K", "PDB:7CRP:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRR:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:7CRQ:LIG:P:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "PDB:11OA:LIG:ZA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11NZ:LIG:OA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11NZ:LIG:PA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11OA:LIG:AB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J", "PDB:11OA:LIG:DB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:J", "PDB:11OA:LIG:EB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:J", "PDB:9E0G:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9E2D:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:X", "PDB:9E3R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2Q:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E05:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E0G:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9Q7U:LIG:R:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9E2D:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:X", "PDB:9E05:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E3R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2Q:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9Q7U:LIG:S:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9E0G:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9Q7U:LIG:T:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9E2D:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:X", "PDB:9E05:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E2Q:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9E3R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:7CRQ:LIG:R:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:L", "PDB:7CRQ:LIG:S:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:L", "PDB:7CRQ:LIG:Q:ZN:1501:.:SITE:UP:Q9BZ95:PWWP2:L", "PDB:9E0G:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E2D:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:U", "PDB:9E05:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E00:LIG:IA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E3R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2Q:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E0G:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E2D:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:U", "PDB:9E3R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2Q:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E05:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E00:LIG:JA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E0G:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E2D:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:U", "PDB:9E3R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E2Q:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E05:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9E00:LIG:KA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9MP0:LIG:K:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9MP0:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9Q7U:LIG:W:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9MP0:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "PDB:9Q7U:LIG:X:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K", "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:9MPP:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:K", "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "PDB:9MP0:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K", "PDB:11OA:LIG:MB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9MP0:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OA:LIG:NB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9MP0:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OA:LIG:OB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:11OA:LIG:QB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9MP0:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:RB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9MP0:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:SB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9MP0:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P", "PDB:11OA:LIG:UB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:P", "PDB:11OA:LIG:VB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:P", "PDB:9MP0:LIG:AA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MP0:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MP0:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "PDB:9MP0:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MP0:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MP0:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "PDB:9MP0:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:9MP0:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S", "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S", "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S", "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9E2Q:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K", "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L", "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q", "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K", "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L", "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q", "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K", "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L", "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q", "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W", "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W", "PDB:9E05:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W", "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T", "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T", "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T", "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A", "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A", "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B", "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D" ], "structural_research_ligand": false, "structural_research_site_count": 0, "studied_compound": false, "total_observation_count": 0, "uncertain_site_count": 379, "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.", "verification_queue": true, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:AA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:AA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:CA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:CA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:DA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:DA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:EA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:EA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:FA:ZN:1001:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:FA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:GA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:GA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:HA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:HA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:KA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:KA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:LA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:LA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:M:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:MA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:MA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:N:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:O:ZN:1004:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:O:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:OA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:OA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:OA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:P:ZN:1001:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:P:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:PA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:PA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:PA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:Q:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:Q:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:QA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:QA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:R:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:R:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:T:ZN:1001:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:T:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:U:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:U:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:V:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:V:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:Y:ZN:1002:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:Y:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11NZ:LIG:Z:ZN:1003:.", "observed_other_component": false, "pdb_id": "11NZ", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11NZ:LIG:Z:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11NZ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:AB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:AB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:AB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:BB:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:BB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:CB:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:CB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:DA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:DA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:DB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:J": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:DB:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:DB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:EA:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:EB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:J": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:EB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:EB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:FA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:GA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:HB:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:IA:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:IB:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:JA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:JB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:KA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:MB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:MB:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:MB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:NA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:NB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:NB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:NB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:OA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:OB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:OB:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:OB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:PA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:PA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:QB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:QB:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:QB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:RA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:RA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:RB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:RB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:RB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:S:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:SA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:SA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:SB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:SB:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:SB:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:T:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:TA:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:TA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:TB:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:U:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:UA:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:UA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:UB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:P": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:UB:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:UB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:VA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:VA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:VB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:P": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:VB:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:VB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:W:ZN:1001:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:WA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:WA:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:WA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:X:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:Y:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OA:LIG:ZA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OA:LIG:ZA:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:ZA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:F:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:G:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:H:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:J:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:J:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:K:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:K:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:L:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:L:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:N:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:O:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c846f79a5192fb5be74853a52e30b4a155e9512a9a1ce561dcb0a8413e225f29", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OH:LIG:P:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:P:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:H:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:I:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:J:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:J:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:L:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:M:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:N:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:N:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:P:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:Q:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:R:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:T:ZN:1002:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:U:ZN:1003:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "6f0a4edba894798ac4af65eaf6759078bf5528df03b455fc7b8ca78239e6b1c0", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:11OI:LIG:V:ZN:1004:.", "observed_other_component": false, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:V:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/11OI", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.", "observed_other_component": false, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/3PFS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.", "observed_other_component": false, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/3PFS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4COS:LIG:B:ZN:1400:.", "observed_other_component": false, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4COS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4COS:LIG:C:ZN:1401:.", "observed_other_component": false, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4COS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "18686460ab8b7572b014f5497c8d6755f03a838965ca8bd0bd194ee114b964d8", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:4COS:LIG:D:ZN:1402:.", "observed_other_component": false, "pdb_id": "4COS", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4COS", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e", "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.", "observed_other_component": false, "pdb_id": "4N4G", "protein_id": "UP:Q8R5C8", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4N4G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae", "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.", "observed_other_component": false, "pdb_id": "4N4H", "protein_id": "UP:Q8R5C8", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4N4H", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c", "domain_id": "UP:Q8R5C8:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.", "observed_other_component": false, "pdb_id": "4N4I", "protein_id": "UP:Q8R5C8", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4N4I", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d6f35d5c06ce150fc8a1c9203a1545c94d50bd5caef6a08db95ea73a7fa89876", "domain_id": "UP:Q15326:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4NS5:LIG:B:ZN:401:.", "observed_other_component": false, "pdb_id": "4NS5", "protein_id": "UP:Q15326", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/4NS5", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5B73:LIG:B:ZN:501:.", "observed_other_component": false, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5B73", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5B73:LIG:C:ZN:502:.", "observed_other_component": false, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5B73:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5B73", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a14aa28e93213a99e4976780d97eb959783d0aaa833cdf19ab277b65a5b19153", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5B73:LIG:D:ZN:503:.", "observed_other_component": false, "pdb_id": "5B73", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5B73", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5Y1Z:LIG:F:ZN:501:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:F:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5Y1Z:LIG:G:ZN:502:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5Y1Z:LIG:H:ZN:503:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:H:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5Y1Z:LIG:L:ZN:501:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:L:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:5Y1Z:LIG:M:ZN:502:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:M:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5Y1Z:LIG:N:ZN:503:.", "observed_other_component": false, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/5Y1Z", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRO:LIG:M:ZN:1402:.:SITE:UP:O96028:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRO:LIG:M:ZN:1402:.", "observed_other_component": false, "pdb_id": "7CRO", "protein_id": "UP:O96028", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRO:LIG:M:ZN:1402:.:SITE:UP:O96028:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRO:LIG:N:ZN:1403:.:SITE:UP:O96028:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRO:LIG:N:ZN:1403:.", "observed_other_component": false, "pdb_id": "7CRO", "protein_id": "UP:O96028", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRO:LIG:N:ZN:1403:.:SITE:UP:O96028:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRO:LIG:O:ZN:1404:.:SITE:UP:O96028:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797", "domain_id": "UP:O96028:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRO:LIG:O:ZN:1404:.", "observed_other_component": false, "pdb_id": "7CRO", "protein_id": "UP:O96028", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRO:LIG:O:ZN:1404:.:SITE:UP:O96028:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRP:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRP:LIG:M:ZN:1502:.", "observed_other_component": false, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRP:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRP:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRP:LIG:N:ZN:1503:.", "observed_other_component": false, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRP:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRP:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRP:LIG:O:ZN:1504:.", "observed_other_component": false, "pdb_id": "7CRP", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRP:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:N:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:N:ZN:1502:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:N:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:O:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:O:ZN:1503:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:O:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:P:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:P:ZN:1504:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:P:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:Q:ZN:1501:.:SITE:UP:Q9BZ95:PWWP2:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:Q:ZN:1501:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:Q:ZN:1501:.:SITE:UP:Q9BZ95:PWWP2:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:R:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:R:ZN:1502:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:R:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRQ:LIG:S:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRQ:LIG:S:ZN:1503:.", "observed_other_component": false, "pdb_id": "7CRQ", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRQ:LIG:S:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRQ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRR:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRR:LIG:M:ZN:1502:.", "observed_other_component": false, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRR:LIG:M:ZN:1502:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRR", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRR:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRR:LIG:N:ZN:1503:.", "observed_other_component": false, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRR:LIG:N:ZN:1503:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRR", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:7CRR:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc", "domain_id": "UP:Q9BZ95:PWWP2", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:7CRR:LIG:O:ZN:1504:.", "observed_other_component": false, "pdb_id": "7CRR", "protein_id": "UP:Q9BZ95", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:7CRR:LIG:O:ZN:1504:.:SITE:UP:Q9BZ95:PWWP2:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/7CRR", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:G:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:G:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:G:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:H:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:I:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:K:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:L:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:M:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:N:ZN:901:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:N:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:O:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:O:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:P:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:P:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:Q:ZN:901:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:Q:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:R:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:R:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "33307be1ba7a4c8aac3acd9120bc3d5937cd818c68009215b2bca47ef961b29a", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIH:LIG:S:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:S:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIH", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:F:ZN:902:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:G:ZN:903:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:H:ZN:904:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:J:ZN:902:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:K:ZN:903:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:L:ZN:904:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:M:ZN:901:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:M:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:N:ZN:902:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:N:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EII:LIG:O:ZN:903:.", "observed_other_component": false, "pdb_id": "8EII", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EII:LIG:O:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EII", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:E:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:F:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:G:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:I:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:J:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "3d60777b8072dfea238e6167ece0d82a55cb1911b5d14a5ca7c28bb310c9233e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIJ:LIG:K:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:H:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:I:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:J:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:L:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:M:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:N:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:P:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:P:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:Q:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:Q:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:R:ZN:904:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:R:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:S:ZN:901:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:S:ZN:901:.:SITE:UP:Q9UBC3:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:T:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:T:ZN:902:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:T:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b3fff6d453f5904930be422eada40aa426a93990f169f4aeae23fcaa6f781c0d", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:8EIK:LIG:U:ZN:903:.", "observed_other_component": false, "pdb_id": "8EIK", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIK:LIG:U:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/8EIK", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:EA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:FA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:GA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:IA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:IA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:IA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:JA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:JA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:JA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E00:LIG:KA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "01318429b9a7c29f14772a47afaec906a05fa64cc76271d5e88bc4d3f735ea10", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E00:LIG:KA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E00", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E00:LIG:KA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E00", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:HA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E05:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "957fb6d2f1ce585cc6ad318afd40e73395f8168e08a28f2d17fd4e59cbb25e0e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E05:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E05", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E05:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E05", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:E:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:F:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:G:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:H:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:I:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:J:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:L:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:M:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "c51c139482765431ba619dab6da2645f54f56cb4408ea46bb5bb40b5dd78d3be", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0F:LIG:N:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0F", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:E:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:F:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:G:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:H:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:I:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:J:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:L:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:M:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E0G:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5d0570d146474b8eb045e1939390a489d5dd49202781b5a326573e067c0c19a3", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E0G:LIG:N:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E0G", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E0G:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E0G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:HA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:X": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:X": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2D:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:X": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e60efd6989c24b4669f9f652209792a0f9a78875c4db3cfb21864bd7a647f0ce", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2D:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2D:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:X", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:HA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2Q:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "b93d31035b4ecb733c69c2b502a6046bfde064c27a7e6531db679531f6b87252", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2Q:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2Q", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2Q:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2Q", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:HA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E2R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "9caaf9366e85023c11b90067daf7f79075731ef6b589c14fbb59b97f28747f4b", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E2R:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E2R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E2R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E2R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:AA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:BA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:W:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:X:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:Y:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "1ecd570bd9149e4cd656c2aa2583a68edd145e94b5aef1270b824caafded6854", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3D:LIG:Z:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3D", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:KA:ZN:1004:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e20236157e455f0ed53454126dee5e80ed0b521ded2490fc76a18a61900c3d05", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3R:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3R", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3R:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3R", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:P:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:Q:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:R:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:S:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:T:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:U:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:W:ZN:1001:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:X:ZN:1002:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "75ed1a514fc1477e26591b82cf0dea6f4002dc535885aee1a2631cb52f9acead", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9E3U:LIG:Y:ZN:1003:.", "observed_other_component": false, "pdb_id": "9E3U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9E3U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:G:ZN:1001:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:H:ZN:1002:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:I:ZN:1003:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:J:ZN:1001:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:J:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:K:ZN:1002:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:K:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ff559ef574bf8cfb35dd3505de2691ab2f1530c37785d7eb2d079817963acbf5", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9LQ1:LIG:L:ZN:1003:.", "observed_other_component": false, "pdb_id": "9LQ1", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9LQ1:LIG:L:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9LQ1", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:AA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:AA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:BA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:CA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:EA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:FA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:GA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:IA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:IA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:JA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:K:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:K:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:K:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:KA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:KA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:L:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:L:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:M:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:M:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:MA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:NA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:O:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:OA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:P:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:Q:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:S:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:T:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:U:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:W:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:X:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MP0:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "bdd61f49181bc06c097b520c53fcb026f13b3cd9ecd0edf642fd5178aa8998ac", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MP0:LIG:Y:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MP0", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MP0:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MP0", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:G:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:H:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:I:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:M:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:M:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:N:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:O:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:O:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:Q:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:Q:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:R:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:R:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:S:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:S:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:U:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:U:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:V:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:V:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "f202338a40a7a38d3849c1f042a66f42373656578fe6d3b0f57a4b58ce016547", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPO:LIG:W:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:W:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPO", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPP:LIG:O:ZN:1001:.", "observed_other_component": false, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPP:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPP:LIG:P:ZN:1002:.", "observed_other_component": false, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPP:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "04eda55f070595fabeb1e0a3af9f67889aa059346f1aed2112cbcd101e6bbc07", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9MPP:LIG:Q:ZN:1003:.", "observed_other_component": false, "pdb_id": "9MPP", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9MPP", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:F:ZN:1002:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:G:ZN:1003:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:H:ZN:1004:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:P:ZN:1002:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:Q:ZN:1003:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9PRW:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "a74ad54c6da250a861d665499f5c3edb57c7a49279171e9c6a14b71d0ec6f236", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9PRW:LIG:R:ZN:1004:.", "observed_other_component": false, "pdb_id": "9PRW", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9PRW:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9PRW", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:O:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:P:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:Q:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:R:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:R:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:R:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:S:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:S:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:S:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:T:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:T:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:T:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:V:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:W:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:W:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:W:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Q7U:LIG:X:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "e8f7de9a7c7e8109006bbd9c0469dcb24477a0e1094314ce07d9f1383e4feebc", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Q7U:LIG:X:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Q7U", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Q7U:LIG:X:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Q7U", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9T2F:LIG:C:ZN:502:.", "observed_other_component": false, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9T2F:LIG:D:ZN:503:.", "observed_other_component": false, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "892edee866ba5352525742db289e1da9520510d4872d0cb335a1242459d44d0e", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9T2F:LIG:E:ZN:504:.", "observed_other_component": false, "pdb_id": "9T2F", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2F", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9T2G:LIG:B:ZN:501:.", "observed_other_component": false, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9T2G:LIG:C:ZN:502:.", "observed_other_component": false, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "ac4aaab0ebea6a86cb100a8a5883896f14e13137282684c6d4c91b17fba43c4b", "domain_id": "UP:Q9ULU4:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9T2G:LIG:D:ZN:503:.", "observed_other_component": false, "pdb_id": "9T2G", "protein_id": "UP:Q9ULU4", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9T2G:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9T2G", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:AA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:BA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:CA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:DA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:EA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:FA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:HA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:IA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:JA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:LA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:MA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:NA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9UBC3", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:OA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:PA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:QA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:SA:ZN:1001:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:TA:ZN:1002:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z": { "ccd_url": "https://www.rcsb.org/ligand/ZN", "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:9Y4P:LIG:UA:ZN:1003:.", "observed_other_component": false, "pdb_id": "9Y4P", "protein_id": "UP:Q9Y6K1", "role_code": "ion_cofactor_role_unresolved", "role_group": "context_unresolved", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z", "source_role": "ion/cofactor_requires_context", "source_url": "https://www.rcsb.org/structure/9Y4P", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 } ] }