{ "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": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "protein": "", "domain": "", "bound": "", "pdb": "", "identity": "", "role": "", "method": "", "endpoint": "", "relation": "", "potency_min": "", "potency_max": "", "source": "", "year": "", "organism": "", "construct": "", "status": "", "missing": "", "scope": "all_components", "view": "gallery", "sort": "" }, "compounds": [ { "aliases": [ "GLYCEROL" ], "assay_count": 0, "associated_pdb_ids": [ "4FU6", "4LD6", "5CIU", "5Y1Z", "9I7D", "9KNA" ], "bound_structure_count": 5, "category": "Structure-supported identity", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "classifications": [], "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "curation_version": "phase5-1.0.0", "depiction": { "calculated_HBA": 3, "calculated_HBD": 3, "calculated_TPSA": 60.69, "calculated_formula": "C3H8O3", "calculated_logP": -1.6681, "calculated_molecular_weight": 92.094, "computed_inchikey": "PEDCQBHIVMGVHV-UHFFFAOYSA-N", "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement", "files": { "dark": "1025456d88b05c4b4050-dark.svg", "light": "1025456d88b05c4b4050-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:Q6NUJ5:PWWP1", "UP:Q7Z4V5:PWWP1", "UP:Q9UBC3:PWWP1" ], "entity_kind": "chemical_identity", "genes": [ "DNMT3B", "HDGFL2", "NSD2", "PSIP1", "PWWP2B" ], "has_bioactivity_only": false, "has_source_conflict": false, "identity": { "aliases": [ "GLYCEROL" ], "ccd_ids": [ "GOL" ], "ccd_names": "[\"GLYCEROL\"]", "ccd_types": "[\"non-polymer\"]", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "connectivity_block": "PEDCQBHIVMGVHV", "curated_source_sha256": null, "curation_version": "frozen-v1.2", "external_identifiers": {}, "formal_charge_by_ccd": "{\"GOL\": 0}", "formulae": "[\"C3 H8 O3\"]", "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.", "identity_status": "complete_deposited_InChIKey", "inchikey": "PEDCQBHIVMGVHV-UHFFFAOYSA-N", "inventory_origin": "v1_CCD_inventory", "isomeric_smiles": "C(C(CO)O)O", "primary_name": "GLYCEROL", "retrieval_date": "2026-10-24", "smiles_stereo_by_ccd": "{\"GOL\": \"C(C(CO)O)O\"}", "source_metadata_sha256": "{\"GOL\": \"66aeba7585a9ac47748bba1ce40011f52f7cb5769eb6984f7e380d477e47dd17\"}", "source_urls": [ "https://www.rcsb.org/ligand/GOL" ] }, "identity_note": "complete_deposited_InChIKey", "identity_resolved": true, "is_control": false, "is_probe": false, "measured_observation_count": 0, "name": "GLYCEROL", "negative_count": 0, "observation_ids": [], "pdb_structure_count": 6, "preparation_count": 0, "preparation_ids": [], "protein_ids": [ "UP:O75475", "UP:O96028", "UP:Q6NUJ5", "UP:Q7Z4V5", "UP:Q9UBC3" ], "relationships": [], "relevant": false, "search_text": "glycerol inchikey:pedcqbhivmgvhv-uhfffaoysa-n glycerol dnmt3b hdgfl2 nsd2 psip1 pwwp2b up:o75475:pwwp1 up:o96028:pwwp1 up:q6nuj5:pwwp1 up:q7z4v5:pwwp1 up:q9ubc3:pwwp1 4fu6 4ld6 5ciu 5y1z 9i7d 9kna {\"aliases\":[\"glycerol\"],\"ccd_ids\":[\"gol\"],\"ccd_names\":\"[\\\"glycerol\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:pedcqbhivmgvhv-uhfffaoysa-n\",\"connectivity_block\":\"pedcqbhivmgvhv\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"gol\\\": 0}\",\"formulae\":\"[\\\"c3 h8 o3\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"pedcqbhivmgvhv-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c(c(co)o)o\",\"primary_name\":\"glycerol\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"gol\\\": \\\"c(c(co)o)o\\\"}\",\"source_metadata_sha256\":\"{\\\"gol\\\": \\\"66aeba7585a9ac47748bba1ce40011f52f7cb5769eb6984f7e380d477e47dd17\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/gol\"]}", "source_urls": [ "https://www.rcsb.org/ligand/GOL" ], "verification_pending": false, "context_observations": [], "context_structures": [ { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9126, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4601, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8522, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7928, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5214, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6504, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4323, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9126, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4601, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8522, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7928, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5214, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6504, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4323, \"uniprot_position\": 49}]", "chain_id": "PDB:4FU6:CHAIN:A:UP:O75475", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9126, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4601, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8522, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7928, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5214, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6504, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4323, \"uniprot_position\": 49}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": true, "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": "204", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:4FU6:LIG:E:GOL:204:.", "nearest_polypeptide_distance_angstrom": 2.4323, "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\": \"15\", \"component\": \"MET\", \"entity_position\": 33, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9126, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 36, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4601, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 37, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8522, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7928, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5214, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 65, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6504, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 67, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.4323, \"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": 6 }, "ligand_instance_id": "PDB:4FU6:LIG:E:GOL:204:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.4323, "minimum_chain_distance_angstrom": 2.4323, "minimum_core_distance_angstrom": 2.4323, "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:4FU6:LIG:E:GOL:204:.:SITE:UP:O75475:PWWP1:A", "source_coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6895, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0835, \"uniprot_position\": 501}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"502\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1638, \"uniprot_position\": 502}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"504\", \"component\": \"TRP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6599, \"uniprot_position\": 504}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"530\", \"component\": \"TRP\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4478, \"uniprot_position\": 530}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"533\", \"component\": \"SER\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6227, \"uniprot_position\": 533}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"535\", \"component\": \"THR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6908, \"uniprot_position\": 535}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"MET\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6199, \"uniprot_position\": 562}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6895, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0835, \"uniprot_position\": 501}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"502\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1638, \"uniprot_position\": 502}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"504\", \"component\": \"TRP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6599, \"uniprot_position\": 504}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"530\", \"component\": \"TRP\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4478, \"uniprot_position\": 530}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"533\", \"component\": \"SER\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6227, \"uniprot_position\": 533}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"535\", \"component\": \"THR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6908, \"uniprot_position\": 535}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"MET\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6199, \"uniprot_position\": 562}]", "chain_id": "PDB:4LD6:CHAIN:A:UP:Q6NUJ5", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6895, \"uniprot_position\": 498}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0835, \"uniprot_position\": 501}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"502\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1638, \"uniprot_position\": 502}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"504\", \"component\": \"TRP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6599, \"uniprot_position\": 504}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"530\", \"component\": \"TRP\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4478, \"uniprot_position\": 530}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"533\", \"component\": \"SER\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6227, \"uniprot_position\": 533}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"535\", \"component\": \"THR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6908, \"uniprot_position\": 535}]", "covalent_connection_ids": "[]", "cutoff_angstrom": 5.0, "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": true, "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": "3001", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "B", "label_seq_id": null, "ligand_instance_id": "PDB:4LD6:LIG:B:GOL:3001:.", "nearest_polypeptide_distance_angstrom": 2.6227, "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\": \"498\", \"component\": \"ILE\", \"entity_position\": 25, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6895, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"501\", \"component\": \"PHE\", \"entity_position\": 28, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0835, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"502\", \"component\": \"PRO\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1638, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"504\", \"component\": \"TRP\", \"entity_position\": 31, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6599, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"530\", \"component\": \"TRP\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4478, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"533\", \"component\": \"SER\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6227, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"535\", \"component\": \"THR\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6908, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"562\", \"component\": \"MET\", \"entity_position\": 89, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6199, \"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": 6 }, "ligand_instance_id": "PDB:4LD6:LIG:B:GOL:3001:.", "ligand_label_asym_id": "B", "minimum_Pfam_distance_angstrom": 2.6227, "minimum_chain_distance_angstrom": 2.6227, "minimum_core_distance_angstrom": 2.6227, "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:4LD6:LIG:B:GOL:3001:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9221, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2725, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1877, \"uniprot_position\": 260}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9221, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2725, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1877, \"uniprot_position\": 260}]", "chain_id": "PDB:5CIU:CHAIN:B:UP:Q9UBC3", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9221, \"uniprot_position\": 251}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2725, \"uniprot_position\": 252}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1877, \"uniprot_position\": 260}]", "covalent_connection_ids": "[]", "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": "[\"B\"]", "auth_seq_id": "401", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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\": 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": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "E", "label_seq_id": null, "ligand_instance_id": "PDB:5CIU:LIG:E:GOL:401:.", "nearest_polypeptide_distance_angstrom": 2.2725, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 0.62, "occupancy_min": 0.62, "pdb_id": "5CIU", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"251\", \"component\": \"LYS\", \"entity_position\": 46, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9221, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"252\", \"component\": \"ARG\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.2725, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"260\", \"component\": \"TRP\", \"entity_position\": 55, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.1877, \"uniprot_position\": null}, {\"auth_asym_id\": \"C\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 8, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.5863, \"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": 6 }, "ligand_instance_id": "PDB:5CIU:LIG:E:GOL:401:.", "ligand_label_asym_id": "E", "minimum_Pfam_distance_angstrom": 2.2725, "minimum_chain_distance_angstrom": 2.2725, "minimum_core_distance_angstrom": 2.2725, "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:5CIU:LIG:E:GOL:401:.:SITE:UP:Q9UBC3:PWWP1:B", "source_coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"C\", \"auth_seq_id\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0849, \"uniprot_position\": 355}]", "chain_id": "PDB:5Y1Z:CHAIN:C:UP:Q9ULU4", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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": "506", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.", "nearest_polypeptide_distance_angstrom": 3.0849, "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\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0849, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"98\", \"component\": \"GLY\", \"entity_position\": 16, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7193, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"99\", \"component\": \"GLN\", \"entity_position\": 17, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2859, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8839, \"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": 6 }, "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 5.8007, "minimum_chain_distance_angstrom": 3.0849, "minimum_core_distance_angstrom": 15.1281, "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:C", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"D\", \"auth_seq_id\": \"98\", \"component\": \"GLY\", \"entity_position\": 16, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7193, \"uniprot_position\": 98}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"99\", \"component\": \"GLN\", \"entity_position\": 17, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2859, \"uniprot_position\": 99}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8839, \"uniprot_position\": 111}]", "chain_id": "PDB:5Y1Z:CHAIN:D:UP:Q9ULU4", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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": "506", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "Q", "label_seq_id": null, "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.", "nearest_polypeptide_distance_angstrom": 3.0849, "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\": \"355\", \"component\": \"ARG\", \"entity_position\": 273, \"label_asym_id\": \"C\", \"minimum_distance_angstrom\": 3.0849, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"98\", \"component\": \"GLY\", \"entity_position\": 16, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.7193, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"99\", \"component\": \"GLN\", \"entity_position\": 17, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.2859, \"uniprot_position\": null}, {\"auth_asym_id\": \"D\", \"auth_seq_id\": \"111\", \"component\": \"HIS\", \"entity_position\": 29, \"label_asym_id\": \"D\", \"minimum_distance_angstrom\": 3.8839, \"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": 6 }, "ligand_instance_id": "PDB:5Y1Z:LIG:Q:GOL:506:.", "ligand_label_asym_id": "Q", "minimum_Pfam_distance_angstrom": 35.1251, "minimum_chain_distance_angstrom": 3.2859, "minimum_core_distance_angstrom": 35.1251, "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:D", "source_coordinate_sha256": "be13d6b91869c9f53cf8d4f56feeafd44b575e91a966831894aab4ceffbf73a3" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7597, \"uniprot_position\": 13}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6193, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2398, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5772, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3994, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.801, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2226, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0647, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7597, \"uniprot_position\": 13}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6193, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2398, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5772, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3994, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.801, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2226, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0647, \"uniprot_position\": 49}]", "chain_id": "PDB:9I7D:CHAIN:A:UP:Q7Z4V5", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7597, \"uniprot_position\": 13}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6193, \"uniprot_position\": 15}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2398, \"uniprot_position\": 18}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5772, \"uniprot_position\": 19}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3994, \"uniprot_position\": 21}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.801, \"uniprot_position\": 44}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2226, \"uniprot_position\": 47}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0647, \"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": "[\"A\"]", "auth_seq_id": "201", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "C", "label_seq_id": null, "ligand_instance_id": "PDB:9I7D:LIG:C:GOL:201:.", "nearest_polypeptide_distance_angstrom": 3.0647, "nearest_polypeptide_label_asym_id": "A", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9I7D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.7597, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6193, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2398, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5772, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3994, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.801, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2226, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0647, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/APO/9I7D/original.cif", "source_coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9I7D:LIG:C:GOL:201:.", "ligand_label_asym_id": "C", "minimum_Pfam_distance_angstrom": 3.0647, "minimum_chain_distance_angstrom": 3.0647, "minimum_core_distance_angstrom": 3.0647, "multiple_contacting_mapped_chains": 0, "pdb_id": "9I7D", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9I7D:LIG:C:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3188, \"uniprot_position\": 13}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9321, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1203, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9721, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4916, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6142, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8218, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6568, \"uniprot_position\": 49}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3188, \"uniprot_position\": 13}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9321, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1203, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9721, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4916, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6142, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8218, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6568, \"uniprot_position\": 49}]", "chain_id": "PDB:9I7D:CHAIN:B:UP:Q7Z4V5", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 1, "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3188, \"uniprot_position\": 13}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9321, \"uniprot_position\": 15}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1203, \"uniprot_position\": 18}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9721, \"uniprot_position\": 19}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4916, \"uniprot_position\": 21}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6142, \"uniprot_position\": 44}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8218, \"uniprot_position\": 47}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6568, \"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": "201", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-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\": \"B\", \"sequence_length\": 94, \"uniprot_ids\": [\"Q7Z4V5\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "H", "label_seq_id": null, "ligand_instance_id": "PDB:9I7D:LIG:H:GOL:201:.", "nearest_polypeptide_distance_angstrom": 2.6142, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9I7D", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"13\", \"component\": \"ALA\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3188, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"15\", \"component\": \"MET\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.9321, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"18\", \"component\": \"TYR\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.1203, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"19\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9721, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"21\", \"component\": \"TRP\", \"entity_position\": 22, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.4916, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"44\", \"component\": \"PHE\", \"entity_position\": 45, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6142, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"47\", \"component\": \"THR\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.8218, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"49\", \"component\": \"GLU\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.6568, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/HDGFL2__HUMAN__Q7Z4V5/APO/9I7D/original.cif", "source_coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9I7D:LIG:H:GOL:201:.", "ligand_label_asym_id": "H", "minimum_Pfam_distance_angstrom": 2.6142, "minimum_chain_distance_angstrom": 2.6142, "minimum_core_distance_angstrom": 2.6142, "multiple_contacting_mapped_chains": 0, "pdb_id": "9I7D", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9I7D:LIG:H:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.837, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4689, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8855, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7357, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8638, \"uniprot_position\": 272}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.837, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4689, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8855, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7357, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8638, \"uniprot_position\": 272}]", "chain_id": "PDB:9KNA:CHAIN:A:UP:O96028", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.837, \"uniprot_position\": 230}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4689, \"uniprot_position\": 233}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8855, \"uniprot_position\": 236}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7357, \"uniprot_position\": 266}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8638, \"uniprot_position\": 272}]", "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": "404", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 132, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 132, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:9KNA:LIG:F:GOL:404:.", "nearest_polypeptide_distance_angstrom": 2.9209, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9KNA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.837, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4689, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8855, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7357, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8638, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9302, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6417, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9209, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6355, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/9KNA/original.cif", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9KNA:LIG:F:GOL:404:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 3.4689, "minimum_chain_distance_angstrom": 3.4689, "minimum_core_distance_angstrom": 3.4689, "multiple_contacting_mapped_chains": 1, "pdb_id": "9KNA", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9302, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6417, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9209, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6355, \"uniprot_position\": 275}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9302, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6417, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9209, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6355, \"uniprot_position\": 275}]", "chain_id": "PDB:9KNA:CHAIN:B:UP:O96028", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9302, \"uniprot_position\": 243}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6417, \"uniprot_position\": 245}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9209, \"uniprot_position\": 273}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6355, \"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": "404", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 132, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 132, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "F", "label_seq_id": null, "ligand_instance_id": "PDB:9KNA:LIG:F:GOL:404:.", "nearest_polypeptide_distance_angstrom": 2.9209, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9KNA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.837, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4689, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8855, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7357, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8638, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"243\", \"component\": \"ASP\", \"entity_position\": 27, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.9302, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6417, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.9209, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"275\", \"component\": \"TRP\", \"entity_position\": 59, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.6355, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/9KNA/original.cif", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9KNA:LIG:F:GOL:404:.", "ligand_label_asym_id": "F", "minimum_Pfam_distance_angstrom": 2.9209, "minimum_chain_distance_angstrom": 2.9209, "minimum_core_distance_angstrom": 2.9209, "multiple_contacting_mapped_chains": 1, "pdb_id": "9KNA", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": 245}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5362, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6953, \"uniprot_position\": 274}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": 245}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5362, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6953, \"uniprot_position\": 274}]", "chain_id": "PDB:9KNA:CHAIN:A:UP:O96028", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "contact_distance_rank": 2, "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": 245}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5362, \"uniprot_position\": 273}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6953, \"uniprot_position\": 274}]", "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": "[\"B\"]", "auth_seq_id": "403", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 132, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 132, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.", "nearest_polypeptide_distance_angstrom": 3.2023, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9KNA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5362, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6953, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3414, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2023, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0099, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7407, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/9KNA/original.cif", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.5362, "minimum_chain_distance_angstrom": 3.5362, "minimum_core_distance_angstrom": 3.5362, "multiple_contacting_mapped_chains": 1, "pdb_id": "9KNA", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:A", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf" }, { "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3414, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2023, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0099, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7407, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 272}]", "biochemical_activity_inferred": 0, "ccd_id": "GOL", "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3414, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2023, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0099, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7407, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 272}]", "chain_id": "PDB:9KNA:CHAIN:B:UP:O96028", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-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\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3414, \"uniprot_position\": 230}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2023, \"uniprot_position\": 233}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0099, \"uniprot_position\": 236}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7407, \"uniprot_position\": 266}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": 272}]", "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": "[\"B\"]", "auth_seq_id": "403", "ccd_id": "GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "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\": 132, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 132, \"uniprot_ids\": [\"O96028\"]}]", "covalent_connection_ids": "[]", "heavy_atom_row_count": 6, "ideal_CCD_SDF_is_source_pose": 0, "label_asym_id": "K", "label_seq_id": null, "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.", "nearest_polypeptide_distance_angstrom": 3.2023, "nearest_polypeptide_label_asym_id": "B", "occupancy_max": 1.0, "occupancy_min": 1.0, "pdb_id": "9KNA", "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"LEU\", \"entity_position\": 29, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.936, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5362, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6953, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.3414, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.2023, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 4.0099, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 50, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7407, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 56, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7411, \"uniprot_position\": null}]", "pose_kind": "deposited_source_coordinates", "reference_model": "1", "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/9KNA/original.cif", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf", "unique_heavy_atom_names": 6 }, "ligand_instance_id": "PDB:9KNA:LIG:K:GOL:403:.", "ligand_label_asym_id": "K", "minimum_Pfam_distance_angstrom": 3.2023, "minimum_chain_distance_angstrom": 3.2023, "minimum_core_distance_angstrom": 3.2023, "multiple_contacting_mapped_chains": 1, "pdb_id": "9KNA", "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": "cryoprotectant/additive", "role_category": "incidental", "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:B", "source_coordinate_sha256": "21757b20303ea68cd50bffdfa7659337c135d9e7492ac4d656b0f3f865cfdacf" } ], "context_assay_count": 0, "context_measured_count": 0, "context_bound_count": 5, "context_pdb_count": 6, "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 ยท not a studied ligand", "science_profile": { "annotation_roles": [ "components" ], "cellular_activity": false, "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "entity_kind": "chemical_identity", "identity_resolved": true, "measured_observation_count": 0, "name": "GLYCEROL", "other_pdb_component": true, "other_site_count": 11, "positive_direct_binder": false, "primary_view": "components", "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:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:C", "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:D", "PDB:9I7D:LIG:C:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:A", "PDB:4FU6:LIG:E:GOL:204:.:SITE:UP:O75475:PWWP1:A", "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:A", "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:A", "PDB:4LD6:LIG:B:GOL:3001:.:SITE:UP:Q6NUJ5:PWWP1:A", "PDB:9I7D:LIG:H:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:B", "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:B", "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:B", "PDB:5CIU:LIG:E:GOL:401:.:SITE:UP:Q9UBC3:PWWP1:B" ], "structural_research_ligand": false, "structural_research_site_count": 0, "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": false, "verification_status": "source_scoped_mixed" }, "science_site_roles": { "PDB:4FU6:LIG:E:GOL:204:.:SITE:UP:O75475:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "c7b1a6796642837ff46e44d9b86d2e1909fbbde3bd2e50e2c5af0965dbb26319", "domain_id": "UP:O75475:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4FU6:LIG:E:GOL:204:.", "observed_other_component": true, "pdb_id": "4FU6", "protein_id": "UP:O75475", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4FU6:LIG:E:GOL:204:.:SITE:UP:O75475:PWWP1:A", "source_role": "cryoprotectant/additive", "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:B:GOL:3001:.:SITE:UP:Q6NUJ5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "61a425f683439fa460d75deddfb94e2af770bfdf5882cf88af12c6ea78e30308", "domain_id": "UP:Q6NUJ5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:4LD6:LIG:B:GOL:3001:.", "observed_other_component": true, "pdb_id": "4LD6", "protein_id": "UP:Q6NUJ5", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:4LD6:LIG:B:GOL:3001:.:SITE:UP:Q6NUJ5:PWWP1:A", "source_role": "cryoprotectant/additive", "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:5CIU:LIG:E:GOL:401:.:SITE:UP:Q9UBC3:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "0759e722499aa9a96aa5e738fbd6773e6535ed24b783f5096eca6b85b40bfbb6", "domain_id": "UP:Q9UBC3:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:5CIU:LIG:E:GOL:401:.", "observed_other_component": true, "pdb_id": "5CIU", "protein_id": "UP:Q9UBC3", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5CIU:LIG:E:GOL:401:.:SITE:UP:Q9UBC3:PWWP1:B", "source_role": "cryoprotectant/additive", "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:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:C": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:Q:GOL:506:.", "observed_other_component": true, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:C", "source_role": "cryoprotectant/additive", "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:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:D": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:Q:GOL:506:.", "observed_other_component": true, "pdb_id": "5Y1Z", "protein_id": "UP:Q9ULU4", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:5Y1Z:LIG:Q:GOL:506:.:SITE:UP:Q9ULU4:PWWP1:D", "source_role": "cryoprotectant/additive", "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:9I7D:LIG:C:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9I7D:LIG:C:GOL:201:.", "observed_other_component": true, "pdb_id": "9I7D", "protein_id": "UP:Q7Z4V5", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9I7D:LIG:C:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:A", "source_role": "cryoprotectant/additive", "source_url": "https://www.rcsb.org/structure/9I7D", "structural_research_ligand": false, "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.", "verification_status": "phase5_derived_deposited_geometry" }, "PDB:9I7D:LIG:H:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "75baf00d0de5d2fed6806f9200bc6ae3cdae675a8a9bec694d5e801ce95be652", "domain_id": "UP:Q7Z4V5:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:9I7D:LIG:H:GOL:201:.", "observed_other_component": true, "pdb_id": "9I7D", "protein_id": "UP:Q7Z4V5", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9I7D:LIG:H:GOL:201:.:SITE:UP:Q7Z4V5:PWWP1:B", "source_role": "cryoprotectant/additive", "source_url": "https://www.rcsb.org/structure/9I7D", "structural_research_ligand": 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:F:GOL:404:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:F:GOL:404:.", "observed_other_component": true, "pdb_id": "9KNA", "protein_id": "UP:O96028", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:A", "source_role": "cryoprotectant/additive", "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:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:F:GOL:404:.", "observed_other_component": true, "pdb_id": "9KNA", "protein_id": "UP:O96028", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KNA:LIG:F:GOL:404:.:SITE:UP:O96028:PWWP1:B", "source_role": "cryoprotectant/additive", "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:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:A": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:K:GOL:403:.", "observed_other_component": true, "pdb_id": "9KNA", "protein_id": "UP:O96028", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:A", "source_role": "cryoprotectant/additive", "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:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/GOL", "chemical_id": "INCHIKEY:PEDCQBHIVMGVHV-UHFFFAOYSA-N", "compound_id": "INCHIKEY:PEDCQBHIVMGVHV-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:K:GOL:403:.", "observed_other_component": true, "pdb_id": "9KNA", "protein_id": "UP:O96028", "role_code": "cryoprotectant", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:9KNA:LIG:K:GOL:403:.:SITE:UP:O96028:PWWP1:B", "source_role": "cryoprotectant/additive", "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" } }, "science_assay_roles": {}, "example": null, "matched_observations": [], "matched_assay_count": 0 } ] }