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"e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QKJ:LIG:L:BTB:356:.", "observed_other_component": true, "pdb_id": "3QKJ", "protein_id": "UP:Q9UBC3", "role_code": "buffer_component", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QKJ:LIG:L:BTB:356:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "buffer/additive", "source_url": "https://www.rcsb.org/structure/3QKJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6KCU:LIG:B:BTB:800:.:SITE:UP:Q9VAA9:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/BTB", "chemical_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N", "compound_id": 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"INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N", "compound_id": "INCHIKEY:OWMVSZAMULFTJU-UHFFFAOYSA-N", "domain_id": "UP:Q9Y6K1:PWWP1", "endpoint": "Qualitative / association", "evidence_type": "structural_association_only", "explicitly_negative": false, "measured": false, "method": "No pharmacological activity assigned", "molecular_entity_type": "buffer_additive", "observation_id": "PWWP:ASSAY:0033", "operator": null, "positive_direct_binder": false, "preparation_id": "PREP:BIS-TRIS", "protein_id": "UP:Q9Y6K1", "remaining_uncertainty": "Pocket occupancy in high-concentration crystallization buffer is not evidence of potency.", "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": "Results: Trimethylated lysine histone recognition; crystallization methods", "source_role": "crystallization_buffer", "source_url": 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"Structures/NSD2__HUMAN__O96028/Co-Crystals/9KNB/original.cif", "source_coordinate_sha256": "7077f887135785974d1978ce67a4a1880b3fe422a584fcac87433458a1a301a1", "unique_heavy_atom_names": 15 }, "ligand_instance_id": "PDB:9KNB:LIG:B:EPE:501:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.9305, "minimum_chain_distance_angstrom": 2.9305, "minimum_core_distance_angstrom": 2.9305, "multiple_contacting_mapped_chains": 0, "pdb_id": "9KNB", "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": "buffer/additive", "role_category": "incidental", "site_id": "PDB:9KNB:LIG:B:EPE:501:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "7077f887135785974d1978ce67a4a1880b3fe422a584fcac87433458a1a301a1" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 5, "context_pdb_count": 5, "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": true, "component_site_count": 11, "verification_queue": false, "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": [ "components" ] }, "science_label": "Other PDB component · not a studied ligand", "science_profile": { "annotation_roles": [ "components" ], "cellular_activity": false, "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "4-(2-HYDROXYETHYL)-1-PIPERAZINE 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"https://www.rcsb.org/ligand/EPE", "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d4b6add5ba3c5e05482aabfb7a08cded84047d6fa7e0ebc026aee74cfec26e77", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9KN9:LIG:E:EPE:403:.", "observed_other_component": true, "pdb_id": "9KN9", "protein_id": "UP:O96028", "role_code": "buffer_component", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KN9:LIG:E:EPE:403:.:SITE:UP:O96028:PWWP1:A", "source_role": "buffer/additive", "source_url": "https://www.rcsb.org/structure/9KN9", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9KN9:LIG:E:EPE:403:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/EPE", "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d4b6add5ba3c5e05482aabfb7a08cded84047d6fa7e0ebc026aee74cfec26e77", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9KN9:LIG:E:EPE:403:.", "observed_other_component": true, "pdb_id": "9KN9", "protein_id": "UP:O96028", "role_code": "buffer_component", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KN9:LIG:E:EPE:403:.:SITE:UP:O96028:PWWP1:B", "source_role": "buffer/additive", "source_url": "https://www.rcsb.org/structure/9KN9", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9KNA:LIG:L:EPE:404:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/EPE", "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9KNA:LIG:L:EPE:404:.", "observed_other_component": true, "pdb_id": "9KNA", "protein_id": "UP:O96028", "role_code": "buffer_component", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KNA:LIG:L:EPE:404:.:SITE:UP:O96028:PWWP1:A", "source_role": "buffer/additive", "source_url": "https://www.rcsb.org/structure/9KNA", "structural_research_ligand": 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"source_url": "https://www.rcsb.org/structure/9KNA", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9KNB:LIG:B:EPE:501:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/EPE", "chemical_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "compound_id": "INCHIKEY:JKMHFZQWWAIEOD-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "7077f887135785974d1978ce67a4a1880b3fe422a584fcac87433458a1a301a1", "domain_id": "UP:O96028:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9KNB:LIG:B:EPE:501:.", "observed_other_component": true, "pdb_id": "9KNB", "protein_id": "UP:O96028", "role_code": "buffer_component", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": 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[], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"135\", \"component\": \"ASP\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8342, \"uniprot_position\": 135}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"136\", \"component\": \"ASP\", \"entity_position\": 68, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0415, \"uniprot_position\": 136}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"174\", \"component\": \"ARG\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6499, \"uniprot_position\": 174}]", "biochemical_activity_inferred": 0, "ccd_id": "MG", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"135\", \"component\": \"ASP\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8342, \"uniprot_position\": 135}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"136\", \"component\": \"ASP\", 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"PDB:11NZ:LIG:X:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "biological cofactor", "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:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:AA:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "biological cofactor", "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:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:FB:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J", "source_role": "biological cofactor", "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:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:GB:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L", "source_role": "biological cofactor", "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:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:HA:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "biological cofactor", "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:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:KB:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M", "source_role": "biological cofactor", "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:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:LA:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "biological cofactor", "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:LB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:N": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:LB:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:LB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:N", "source_role": "biological cofactor", "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:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:MA:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "biological cofactor", "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:PB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:O": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:PB:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:PB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:O", "source_role": "biological cofactor", "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:QA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:QA:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:QA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:G", "source_role": "biological cofactor", "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:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:V:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "biological cofactor", "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:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:WB:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P", "source_role": "biological cofactor", "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:XA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:XA:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:XA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H", "source_role": "biological cofactor", "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:XB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Q": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:XB:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:XB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Q", "source_role": "biological cofactor", "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:YA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:YA:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:YA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I", "source_role": "biological cofactor", "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:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:Z:SAH:1004:.", "observed_other_component": true, "pdb_id": "11OA", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OA:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "biological cofactor", "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:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:E:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "biological cofactor", "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:I:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:I:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:I:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C", "source_role": "biological cofactor", "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:M:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:M:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OH", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OH:LIG:M:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "biological cofactor", "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:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:G:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A", "source_role": "biological cofactor", "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:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:K:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "biological cofactor", "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:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:O:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E", "source_role": "biological cofactor", "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:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:S:SAH:1001:.", "observed_other_component": true, "pdb_id": "11OI", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:11OI:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F", "source_role": "biological cofactor", "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:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "79215faaf437b7575076343815034f0af7341748b6b312143a0274192b0c57bb", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6PA7:LIG:R:SAH:1001:.", "observed_other_component": true, "pdb_id": "6PA7", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K", "source_role": "biological cofactor", "source_url": "https://www.rcsb.org/structure/6PA7", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:6PA7:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "79215faaf437b7575076343815034f0af7341748b6b312143a0274192b0c57bb", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:6PA7:LIG:S:SAH:1001:.", "observed_other_component": true, "pdb_id": "6PA7", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain 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"other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:F:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "biological cofactor", "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:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:J:SAH:901:.", "observed_other_component": true, "pdb_id": "8EIH", "protein_id": "UP:Q9UBC3", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "biological cofactor", "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:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd", "domain_id": "UP:Q9UBC3:PWWP1", 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{ "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:H:SAH:901:.", "observed_other_component": true, "pdb_id": "8EIJ", "protein_id": "UP:Q9UBC3", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:8EIJ:LIG:H:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "biological cofactor", "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.", 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"structural_research_ligand": 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:J:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-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:J:SAH:1004:.", "observed_other_component": true, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": 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false, "ligand_instance_id": "PDB:9MPO:LIG:P:SAH:1004:.", "observed_other_component": true, "pdb_id": "9MPO", "protein_id": "UP:Q9Y6K1", "role_code": "non_pwwp_biological_cofactor", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9MPO:LIG:P:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D", "source_role": "biological cofactor", "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:T:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": { "ccd_url": "https://www.rcsb.org/ligand/SAH", "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N", "contact_class": "noncore_contact_in_multidomain_chain", "coordinate_sha256": 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the source identity; not an experimental measurement", "files": { "dark": "2406663a127af3e62e77-dark.svg", "light": "2406663a127af3e62e77-light.svg" }, "rdkit_version": "2025.09.3", "status": "verified_smiles_full_inchikey_match" }, "development_status": "Not independently curated", "domain_ids": [ "UP:O75475:PWWP1", "UP:O96028:PWWP1", "UP:P52701:PWWP1", "UP:P55201:PWWP1", "UP:Q7Z4V5:PWWP1", "UP:Q9UBC3:PWWP1", "UP:Q9ULD4:PWWP1", "UP:Q9ULU4:PWWP1", "UP:Q9Y3E1:PWWP1", "UP:Q9Y6K1:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "BRPF1", "BRPF3", "DNMT3A", "DNMT3B", "HDGFL2", "HDGFL3", "MSH6", "NSD2", "PSIP1", "ZMYND8" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "SULFATE ION" ], "ccd_ids": [ "SO4" ], "ccd_names": "[\"SULFATE ION\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "connectivity_block": "QAOWNCQODCNURD", "curated_source_sha256": null, "curation_version": "frozen-v1.2", 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"ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E", "source_role": "ion/additive", "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:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "d176722770f62d8382f5a0ecad813969c335bbf99bff85449860bfe2d67c59b7", "domain_id": "UP:P55201:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:2X4Y:LIG:W:SO4:2204:.", "observed_other_component": true, "pdb_id": "2X4Y", "protein_id": "UP:P55201", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G", "source_role": "ion/additive", "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:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3LLR:LIG:H:SO4:155:.", "observed_other_component": true, "pdb_id": "3LLR", "protein_id": "UP:Q9Y6K1", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3LLR", "structural_research_ligand": 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:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8", "domain_id": "UP:Q9ULD4:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3PFS:LIG:D:SO4:1300:.", "observed_other_component": true, "pdb_id": "3PFS", "protein_id": "UP:Q9ULD4", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PFS:LIG:D:SO4:1300:.:SITE:UP:Q9ULD4:PWWP1:A", "source_role": "ion/additive", "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:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:E:SO4:2:.", "observed_other_component": true, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:E:SO4:2:.:SITE:UP:Q2TAK8:PWWP1:A", "source_role": "ion/additive", "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:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "isolated_construct_contact_outside_annotations", "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea", "domain_id": "UP:Q2TAK8:PWWP1", "exact_pwwp_contact": false, "ligand_instance_id": "PDB:3PMI:LIG:G:SO4:1:.", "observed_other_component": true, "pdb_id": "3PMI", "protein_id": "UP:Q2TAK8", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3PMI:LIG:G:SO4:1:.:SITE:UP:Q2TAK8:PWWP1:B", "source_role": "ion/additive", "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:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:R:SO4:94:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "ion/additive", "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:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:R:SO4:94:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:R:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "ion/additive", "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:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:S:SO4:95:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "ion/additive", "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:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "4f5a434d2509ed7339960ff4604249a6c018761b14e740b671f8a7013873a3b2", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QBY:LIG:S:SO4:95:.", "observed_other_component": true, "pdb_id": "3QBY", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QBY:LIG:S:SO4:95:.:SITE:UP:Q7Z4V5:PWWP1:C", "source_role": "ion/additive", "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:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "f720a2922538e7d6e95f6e4fd903d79b7bbcccce3545cf1534e124b8d88b95a9", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QJ6:LIG:C:SO4:94:.", "observed_other_component": true, "pdb_id": "3QJ6", "protein_id": "UP:Q7Z4V5", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QJ6:LIG:C:SO4:94:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "ion/additive", "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:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QKJ:LIG:F:SO4:3:.", "observed_other_component": true, "pdb_id": "3QKJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site 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"role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QKJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "broader_Pfam_PWWP_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3QKJ:LIG:G:SO4:4:.", "observed_other_component": true, "pdb_id": "3QKJ", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3QKJ", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:3QKJ:LIG:G:SO4:4:.:SITE:UP:Q9UBC3:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "e94a2082f64ba107b7c13187a1af6dc528db6e5340be742ad57500d752199174", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": 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"pdb_id": "5NR3", "protein_id": "UP:Q9UBC3", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5NR3:LIG:F:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/5NR3", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:5NRR:LIG:D:SO4:402:.:SITE:UP:Q9UBC3:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "ab09d824a29b987279f6178899a03ddb8e496509769ce2e3558b670c6826e1e0", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, 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