{
  "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:MEFKEPWMEQBLKI-FCKMPRQPSA-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": [
        "S-ADENOSYLMETHIONINE"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "7CRO",
        "7CRP",
        "7CRQ",
        "7CRR"
      ],
      "bound_structure_count": 0,
      "category": "Deposited component / association",
      "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 11,
        "calculated_HBD": 4,
        "calculated_TPSA": 185.46,
        "calculated_formula": "C15H22N6O5S",
        "calculated_logP": -3.2569,
        "calculated_molecular_weight": 398.445,
        "computed_inchikey": "MEFKEPWMEQBLKI-FCKMPRQPSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "6f088d9d8952eb51445d-dark.svg",
          "light": "6f088d9d8952eb51445d-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [],
      "entity_kind": "chemical_identity",
      "genes": [],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "S-ADENOSYLMETHIONINE"
        ],
        "ccd_ids": [
          "SAM"
        ],
        "ccd_names": "[\"S-ADENOSYLMETHIONINE\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
        "connectivity_block": "MEFKEPWMEQBLKI",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"SAM\": 0}",
        "formulae": "[\"C15 H22 N6 O5 S\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "MEFKEPWMEQBLKI-FCKMPRQPSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O",
        "primary_name": "S-ADENOSYLMETHIONINE",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"SAM\": \"C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O\"}",
        "source_metadata_sha256": "{\"SAM\": \"2c0fa864f199e28ec7061d18f1a85ea23243761a4ec7ee63296d4d6aab50c02b\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/SAM"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "S-ADENOSYLMETHIONINE",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 4,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [],
      "relationships": [],
      "relevant": false,
      "search_text": "s-adenosylmethionine inchikey:mefkepwmeqblki-fckmprqpsa-n s-adenosylmethionine 7cro 7crp 7crq 7crr {\"aliases\":[\"s-adenosylmethionine\"],\"ccd_ids\":[\"sam\"],\"ccd_names\":\"[\\\"s-adenosylmethionine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:mefkepwmeqblki-fckmprqpsa-n\",\"connectivity_block\":\"mefkepwmeqblki\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"sam\\\": 0}\",\"formulae\":\"[\\\"c15 h22 n6 o5 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"mefkepwmeqblki-fckmprqpsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c[s@@+](cc[c@@h](c(=o)[o-])n)c[c@@h]1[c@h]([c@h]([c@@h](o1)n2cnc3c2ncnc3n)o)o\",\"primary_name\":\"s-adenosylmethionine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"sam\\\": \\\"c[s@@+](cc[c@@h](c(=o)[o-])n)c[c@@h]1[c@h]([c@h]([c@@h](o1)n2cnc3c2ncnc3n)o)o\\\"}\",\"source_metadata_sha256\":\"{\\\"sam\\\": \\\"2c0fa864f199e28ec7061d18f1a85ea23243761a4ec7ee63296d4d6aab50c02b\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/sam\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/SAM"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SAM",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1070\", \"component\": \"THR\", \"entity_position\": 410, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4545, \"uniprot_position\": 1070}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1072\", \"component\": \"GLY\", \"entity_position\": 412, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.8834, \"uniprot_position\": 1072}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1073\", \"component\": \"LYS\", \"entity_position\": 413, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.38, \"uniprot_position\": 1073}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1074\", \"component\": \"GLY\", \"entity_position\": 414, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6499, \"uniprot_position\": 1074}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1075\", \"component\": \"TRP\", \"entity_position\": 415, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0882, \"uniprot_position\": 1075}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1076\", \"component\": \"GLY\", \"entity_position\": 416, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6029, \"uniprot_position\": 1076}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1117\", \"component\": \"PHE\", \"entity_position\": 457, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9568, \"uniprot_position\": 1117}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1118\", \"component\": \"TYR\", \"entity_position\": 458, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.47, \"uniprot_position\": 1118}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1138\", \"component\": \"ARG\", \"entity_position\": 478, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8532, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1139\", \"component\": \"PHE\", \"entity_position\": 479, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1407, \"uniprot_position\": 1139}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1140\", \"component\": \"MET\", \"entity_position\": 480, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2121, \"uniprot_position\": 1140}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1141\", \"component\": \"ASN\", \"entity_position\": 481, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4905, \"uniprot_position\": 1141}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1142\", \"component\": \"HIS\", \"entity_position\": 482, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0709, \"uniprot_position\": 1142}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1189\", \"component\": \"THR\", \"entity_position\": 529, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0561, \"uniprot_position\": 1189}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1190\", \"component\": \"VAL\", \"entity_position\": 530, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.0541, \"uniprot_position\": 1190}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1191\", \"component\": \"CYS\", \"entity_position\": 531, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6696, \"uniprot_position\": 1191}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1192\", \"component\": \"ARG\", \"entity_position\": 532, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.8812, \"uniprot_position\": 1192}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1193\", \"component\": \"CYS\", \"entity_position\": 533, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1613, \"uniprot_position\": 1193}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1202\", \"component\": \"LEU\", \"entity_position\": 542, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.7011, \"uniprot_position\": 1202}]",
          "chain_id": "PDB:7CRO:CHAIN:K:UP:O96028",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP2",
          "exact_pwwp_contact": false,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"I\"]",
            "auth_seq_id": "1401",
            "ccd_id": "SAM",
            "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 705, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 27,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7CRO:LIG:L:SAM:1401:.",
            "nearest_polypeptide_distance_angstrom": 2.8812,
            "nearest_polypeptide_label_asym_id": "K",
            "occupancy_max": 0.93,
            "occupancy_min": 0.93,
            "pdb_id": "7CRO",
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Unclassified_Review/7CRO/original.cif",
            "source_coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797",
            "unique_heavy_atom_names": 27
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          "ligand_instance_id": "PDB:7CRO:LIG:L:SAM:1401:.",
          "ligand_label_asym_id": "L",
          "minimum_Pfam_distance_angstrom": null,
          "minimum_chain_distance_angstrom": 2.8812,
          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "7CRO",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "K",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:7CRO:LIG:L:SAM:1401:.:SITE:UP:O96028:PWWP2:K",
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        },
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          "ccd_id": "SAM",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"ARG\", \"entity_position\": 476, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8544, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1156\", \"component\": \"GLY\", \"entity_position\": 477, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3492, \"uniprot_position\": 1156}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1157\", \"component\": \"TRP\", \"entity_position\": 478, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1775, \"uniprot_position\": 1157}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1158\", \"component\": \"GLY\", \"entity_position\": 479, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.945, \"uniprot_position\": 1158}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1199\", \"component\": \"PHE\", \"entity_position\": 520, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.9772, \"uniprot_position\": 1199}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1200\", \"component\": \"TYR\", \"entity_position\": 521, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0764, \"uniprot_position\": 1200}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1220\", \"component\": \"ARG\", \"entity_position\": 541, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.857, \"uniprot_position\": 1220}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1221\", \"component\": \"PHE\", \"entity_position\": 542, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3297, \"uniprot_position\": 1221}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1222\", \"component\": \"MET\", \"entity_position\": 543, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4918, \"uniprot_position\": 1222}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1223\", \"component\": \"ASN\", \"entity_position\": 544, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2022, \"uniprot_position\": 1223}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.2626, \"uniprot_position\": 1224}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1225\", \"component\": \"SER\", \"entity_position\": 546, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4828, \"uniprot_position\": 1225}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1261\", \"component\": \"TYR\", \"entity_position\": 582, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6352, \"uniprot_position\": 1261}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1271\", \"component\": \"THR\", \"entity_position\": 592, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9831, \"uniprot_position\": 1271}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1272\", \"component\": \"GLU\", \"entity_position\": 593, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2554, \"uniprot_position\": 1272}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4692, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0643, \"uniprot_position\": 1274}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3511, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1284\", \"component\": \"LEU\", \"entity_position\": 605, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.9144, \"uniprot_position\": 1284}]",
          "chain_id": "PDB:7CRP:CHAIN:K:UP:Q9BZ95",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "gene": "NSD3",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"I\"]",
            "auth_seq_id": "1501",
            "ccd_id": "SAM",
            "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone H3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"A\", \"sequence_length\": 135, \"uniprot_ids\": [\"Q92133\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 27,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
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            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1154\", \"component\": \"ARG\", \"entity_position\": 475, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.3231, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1155\", \"component\": \"ARG\", \"entity_position\": 476, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.5317, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1156\", \"component\": \"GLY\", \"entity_position\": 477, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.0843, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1157\", \"component\": \"TRP\", \"entity_position\": 478, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.1082, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1199\", \"component\": \"PHE\", \"entity_position\": 520, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.0491, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1200\", \"component\": \"TYR\", \"entity_position\": 521, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.1159, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1220\", \"component\": \"ARG\", \"entity_position\": 541, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.3843, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1221\", \"component\": \"PHE\", \"entity_position\": 542, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.9988, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1222\", \"component\": \"MET\", \"entity_position\": 543, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.3659, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1223\", \"component\": \"ASN\", \"entity_position\": 544, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.1086, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4184, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1261\", \"component\": \"TYR\", \"entity_position\": 582, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.1695, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1271\", \"component\": \"THR\", \"entity_position\": 592, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.8846, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1272\", \"component\": \"GLU\", \"entity_position\": 593, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.4929, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.2256, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.17, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 4.6848, \"uniprot_position\": null}, {\"auth_asym_id\": \"L\", \"auth_seq_id\": \"1284\", \"component\": \"LEU\", \"entity_position\": 605, \"label_asym_id\": \"L\", \"minimum_distance_angstrom\": 3.5527, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRQ/original.cif",
            "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1",
            "unique_heavy_atom_names": 27
          },
          "ligand_instance_id": "PDB:7CRQ:LIG:T:SAM:1504:.",
          "ligand_label_asym_id": "T",
          "minimum_Pfam_distance_angstrom": null,
          "minimum_chain_distance_angstrom": 3.0491,
          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "7CRQ",
          "protein_id": "UP:Q9BZ95",
          "protein_label_asym_id": "L",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:7CRQ:LIG:T:SAM:1504:.:SITE:UP:Q9BZ95:PWWP2:L",
          "source_coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1"
        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SAM",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"ARG\", \"entity_position\": 476, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1029, \"uniprot_position\": 1155}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1156\", \"component\": \"GLY\", \"entity_position\": 477, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0527, \"uniprot_position\": 1156}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1157\", \"component\": \"TRP\", \"entity_position\": 478, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3402, \"uniprot_position\": 1157}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1158\", \"component\": \"GLY\", \"entity_position\": 479, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3761, \"uniprot_position\": 1158}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1198\", \"component\": \"ASN\", \"entity_position\": 519, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3921, \"uniprot_position\": 1198}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1199\", \"component\": \"PHE\", \"entity_position\": 520, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0393, \"uniprot_position\": 1199}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1200\", \"component\": \"TYR\", \"entity_position\": 521, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4823, \"uniprot_position\": 1200}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1220\", \"component\": \"ARG\", \"entity_position\": 541, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2285, \"uniprot_position\": 1220}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1221\", \"component\": \"PHE\", \"entity_position\": 542, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8211, \"uniprot_position\": 1221}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1222\", \"component\": \"MET\", \"entity_position\": 543, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1717, \"uniprot_position\": 1222}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1223\", \"component\": \"ASN\", \"entity_position\": 544, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6169, \"uniprot_position\": 1223}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1843, \"uniprot_position\": 1224}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1261\", \"component\": \"TYR\", \"entity_position\": 582, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4895, \"uniprot_position\": 1261}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1271\", \"component\": \"THR\", \"entity_position\": 592, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6386, \"uniprot_position\": 1271}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1272\", \"component\": \"GLU\", \"entity_position\": 593, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6975, \"uniprot_position\": 1272}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3498, \"uniprot_position\": 1273}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5788, \"uniprot_position\": 1274}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.885, \"uniprot_position\": 1275}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1284\", \"component\": \"LEU\", \"entity_position\": 605, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5416, \"uniprot_position\": 1284}]",
          "chain_id": "PDB:7CRR:CHAIN:K:UP:Q9BZ95",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "gene": "NSD3",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"I\"]",
            "auth_seq_id": "1501",
            "ccd_id": "SAM",
            "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD3\", \"entity_id\": \"7\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"K\", \"sequence_length\": 758, \"uniprot_ids\": [\"Q9BZ95\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 27,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "L",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7CRR:LIG:L:SAM:1501:.",
            "nearest_polypeptide_distance_angstrom": 2.6169,
            "nearest_polypeptide_label_asym_id": "K",
            "occupancy_max": 0.93,
            "occupancy_min": 0.93,
            "pdb_id": "7CRR",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1155\", \"component\": \"ARG\", \"entity_position\": 476, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.1029, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1156\", \"component\": \"GLY\", \"entity_position\": 477, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0527, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1157\", \"component\": \"TRP\", \"entity_position\": 478, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3402, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1158\", \"component\": \"GLY\", \"entity_position\": 479, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.3761, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1198\", \"component\": \"ASN\", \"entity_position\": 519, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3921, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1199\", \"component\": \"PHE\", \"entity_position\": 520, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.0393, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1200\", \"component\": \"TYR\", \"entity_position\": 521, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.4823, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1220\", \"component\": \"ARG\", \"entity_position\": 541, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.2285, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1221\", \"component\": \"PHE\", \"entity_position\": 542, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.8211, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1222\", \"component\": \"MET\", \"entity_position\": 543, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1717, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1223\", \"component\": \"ASN\", \"entity_position\": 544, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 2.6169, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1224\", \"component\": \"HIS\", \"entity_position\": 545, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.1843, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1261\", \"component\": \"TYR\", \"entity_position\": 582, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.4895, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1271\", \"component\": \"THR\", \"entity_position\": 592, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.6386, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1272\", \"component\": \"GLU\", \"entity_position\": 593, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.6975, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1273\", \"component\": \"CYS\", \"entity_position\": 594, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 4.3498, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1274\", \"component\": \"HIS\", \"entity_position\": 595, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5788, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1275\", \"component\": \"CYS\", \"entity_position\": 596, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.885, \"uniprot_position\": null}, {\"auth_asym_id\": \"I\", \"auth_seq_id\": \"1284\", \"component\": \"LEU\", \"entity_position\": 605, \"label_asym_id\": \"K\", \"minimum_distance_angstrom\": 3.5416, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD3__HUMAN__Q9BZ95/Unclassified_Review/7CRR/original.cif",
            "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc",
            "unique_heavy_atom_names": 27
          },
          "ligand_instance_id": "PDB:7CRR:LIG:L:SAM:1501:.",
          "ligand_label_asym_id": "L",
          "minimum_Pfam_distance_angstrom": null,
          "minimum_chain_distance_angstrom": 2.6169,
          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "7CRR",
          "protein_id": "UP:Q9BZ95",
          "protein_label_asym_id": "K",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:7CRR:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "source_coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 0,
      "context_pdb_count": 4,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "Association / verification pending",
      "science": {
        "studied_compound": false,
        "measured_count": 0,
        "structural_research_ligand": false,
        "research_pdb_count": 0,
        "other_component": true,
        "component_site_count": 5,
        "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:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
        "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "S-ADENOSYLMETHIONINE",
        "other_pdb_component": true,
        "other_site_count": 5,
        "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:7CRO:LIG:L:SAM:1401:.:SITE:UP:O96028:PWWP2:K",
          "PDB:7CRQ:LIG:M:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRR:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRP:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "PDB:7CRQ:LIG:T:SAM:1504:.:SITE:UP:Q9BZ95:PWWP2:L"
        ],
        "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:7CRO:LIG:L:SAM:1401:.:SITE:UP:O96028:PWWP2:K": {
          "ccd_url": "https://www.rcsb.org/ligand/SAM",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "c21f8296fe4e521dd029b2570dd15206edae2bf288f41906bf0884bc5a821797",
          "domain_id": "UP:O96028:PWWP2",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:7CRO:LIG:L:SAM:1401:.",
          "observed_other_component": true,
          "pdb_id": "7CRO",
          "protein_id": "UP:O96028",
          "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:7CRO:LIG:L:SAM:1401:.:SITE:UP:O96028:PWWP2:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/7CRO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7CRP:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K": {
          "ccd_url": "https://www.rcsb.org/ligand/SAM",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "f5b2c1c584db9401870e945c21c05fdf01526b726d1ca826ad6f15ae75b75581",
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:7CRP:LIG:L:SAM:1501:.",
          "observed_other_component": true,
          "pdb_id": "7CRP",
          "protein_id": "UP:Q9BZ95",
          "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:7CRP:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/7CRP",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7CRQ:LIG:M:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K": {
          "ccd_url": "https://www.rcsb.org/ligand/SAM",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1",
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:7CRQ:LIG:M:SAM:1501:.",
          "observed_other_component": true,
          "pdb_id": "7CRQ",
          "protein_id": "UP:Q9BZ95",
          "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:7CRQ:LIG:M:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/7CRQ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7CRQ:LIG:T:SAM:1504:.:SITE:UP:Q9BZ95:PWWP2:L": {
          "ccd_url": "https://www.rcsb.org/ligand/SAM",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1",
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:7CRQ:LIG:T:SAM:1504:.",
          "observed_other_component": true,
          "pdb_id": "7CRQ",
          "protein_id": "UP:Q9BZ95",
          "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:7CRQ:LIG:T:SAM:1504:.:SITE:UP:Q9BZ95:PWWP2:L",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/7CRQ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7CRR:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K": {
          "ccd_url": "https://www.rcsb.org/ligand/SAM",
          "chemical_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "compound_id": "INCHIKEY:MEFKEPWMEQBLKI-FCKMPRQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "484f198eaff6ccb592cb4f671110a7e37421871745f1acc60198e760694b77cc",
          "domain_id": "UP:Q9BZ95:PWWP2",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:7CRR:LIG:L:SAM:1501:.",
          "observed_other_component": true,
          "pdb_id": "7CRR",
          "protein_id": "UP:Q9BZ95",
          "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:7CRR:LIG:L:SAM:1501:.:SITE:UP:Q9BZ95:PWWP2:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/7CRR",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}