{
  "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:ZJUKTBDSGOFHSH-WFMPWKQPSA-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-ADENOSYL-L-HOMOCYSTEINE"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "11NZ",
        "11OA",
        "11OH",
        "11OI",
        "6PA7",
        "8EIH",
        "8EII",
        "8EIJ",
        "8EIK",
        "9E00",
        "9E05",
        "9E0F",
        "9E0G",
        "9E2D",
        "9E2Q",
        "9E2R",
        "9E3D",
        "9E3R",
        "9E3U",
        "9MP0",
        "9MPO",
        "9MPP",
        "9PRW",
        "9Y4P"
      ],
      "bound_structure_count": 0,
      "category": "Deposited component / association",
      "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 11,
        "calculated_HBD": 5,
        "calculated_TPSA": 182.63,
        "calculated_formula": "C14H20N6O5S",
        "calculated_logP": -1.4371,
        "calculated_molecular_weight": 384.418,
        "computed_inchikey": "ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "ffebbea0b5a6b6fe6253-dark.svg",
          "light": "ffebbea0b5a6b6fe6253-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-ADENOSYL-L-HOMOCYSTEINE"
        ],
        "ccd_ids": [
          "SAH"
        ],
        "ccd_names": "[\"S-ADENOSYL-L-HOMOCYSTEINE\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
        "connectivity_block": "ZJUKTBDSGOFHSH",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"SAH\": 0}",
        "formulae": "[\"C14 H20 N6 O5 S\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N",
        "primary_name": "S-ADENOSYL-L-HOMOCYSTEINE",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"SAH\": \"c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N\"}",
        "source_metadata_sha256": "{\"SAH\": \"dff94e5a4d48879b3c8fd7057a044d6beeb8143070198a2a866f18daf529249a\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/SAH"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "S-ADENOSYL-L-HOMOCYSTEINE",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 24,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [],
      "relationships": [],
      "relevant": false,
      "search_text": "s-adenosyl-l-homocysteine inchikey:zjuktbdsgofhsh-wfmpwkqpsa-n s-adenosyl-l-homocysteine 11nz 11oa 11oh 11oi 6pa7 8eih 8eii 8eij 8eik 9e00 9e05 9e0f 9e0g 9e2d 9e2q 9e2r 9e3d 9e3r 9e3u 9mp0 9mpo 9mpp 9prw 9y4p {\"aliases\":[\"s-adenosyl-l-homocysteine\"],\"ccd_ids\":[\"sah\"],\"ccd_names\":\"[\\\"s-adenosyl-l-homocysteine\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:zjuktbdsgofhsh-wfmpwkqpsa-n\",\"connectivity_block\":\"zjuktbdsgofhsh\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"sah\\\": 0}\",\"formulae\":\"[\\\"c14 h20 n6 o5 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"zjuktbdsgofhsh-wfmpwkqpsa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c1nc(c2c(n1)n(cn2)[c@h]3[c@@h]([c@@h]([c@h](o3)cscc[c@@h](c(=o)o)n)o)o)n\",\"primary_name\":\"s-adenosyl-l-homocysteine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"sah\\\": \\\"c1nc(c2c(n1)n(cn2)[c@h]3[c@@h]([c@@h]([c@h](o3)cscc[c@@h](c(=o)o)n)o)o)n\\\"}\",\"source_metadata_sha256\":\"{\\\"sah\\\": \\\"dff94e5a4d48879b3c8fd7057a044d6beeb8143070198a2a866f18daf529249a\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/sah\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/SAH"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SAH",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"640\", \"component\": \"PHE\", \"entity_position\": 361, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8295, \"uniprot_position\": 640}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"641\", \"component\": \"ASP\", \"entity_position\": 362, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6834, \"uniprot_position\": 641}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"642\", \"component\": \"GLY\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4023, \"uniprot_position\": 642}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"643\", \"component\": \"ILE\", \"entity_position\": 364, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6556, \"uniprot_position\": 643}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"645\", \"component\": \"THR\", \"entity_position\": 366, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6045, \"uniprot_position\": 645}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"663\", \"component\": \"SER\", \"entity_position\": 384, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6008, \"uniprot_position\": 663}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"664\", \"component\": \"GLU\", \"entity_position\": 385, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6923, \"uniprot_position\": 664}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"665\", \"component\": \"VAL\", \"entity_position\": 386, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1688, \"uniprot_position\": 665}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"666\", \"component\": \"CYS\", \"entity_position\": 387, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5011, \"uniprot_position\": 666}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"685\", \"component\": \"GLY\", \"entity_position\": 406, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6926, \"uniprot_position\": 685}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"686\", \"component\": \"ASP\", \"entity_position\": 407, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5926, \"uniprot_position\": 686}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"687\", \"component\": \"VAL\", \"entity_position\": 408, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2177, \"uniprot_position\": 687}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"688\", \"component\": \"ARG\", \"entity_position\": 409, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5945, \"uniprot_position\": 688}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"707\", \"component\": \"GLY\", \"entity_position\": 428, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1822, \"uniprot_position\": 707}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"708\", \"component\": \"SER\", \"entity_position\": 429, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9963, \"uniprot_position\": 708}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"709\", \"component\": \"PRO\", \"entity_position\": 430, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2688, \"uniprot_position\": 709}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"730\", \"component\": \"LEU\", \"entity_position\": 451, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9479, \"uniprot_position\": 730}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"756\", \"component\": \"GLU\", \"entity_position\": 477, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6107, \"uniprot_position\": 756}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"891\", \"component\": \"ARG\", \"entity_position\": 612, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4935, \"uniprot_position\": 891}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"892\", \"component\": \"SER\", \"entity_position\": 613, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.0533, \"uniprot_position\": 892}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"893\", \"component\": \"TRP\", \"entity_position\": 614, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8679, \"uniprot_position\": 893}]",
          "chain_id": "PDB:11NZ:CHAIN:F:UP:Q9Y6K1",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "DNMT3A",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
            "auth_seq_id": "1001",
            "ccd_id": "SAH",
            "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "BA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:11NZ:LIG:BA:SAH:1001:.",
            "nearest_polypeptide_distance_angstrom": 2.4935,
            "nearest_polypeptide_label_asym_id": "F",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "11NZ",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"640\", \"component\": \"PHE\", \"entity_position\": 361, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8295, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"641\", \"component\": \"ASP\", \"entity_position\": 362, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6834, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"642\", \"component\": \"GLY\", \"entity_position\": 363, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.4023, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"643\", \"component\": \"ILE\", \"entity_position\": 364, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6556, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"645\", \"component\": \"THR\", \"entity_position\": 366, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6045, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"663\", \"component\": \"SER\", \"entity_position\": 384, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6008, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"664\", \"component\": \"GLU\", \"entity_position\": 385, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.6923, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"665\", \"component\": \"VAL\", \"entity_position\": 386, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1688, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"666\", \"component\": \"CYS\", \"entity_position\": 387, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5011, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"685\", \"component\": \"GLY\", \"entity_position\": 406, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6926, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"686\", \"component\": \"ASP\", \"entity_position\": 407, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.5926, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"687\", \"component\": \"VAL\", \"entity_position\": 408, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2177, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"688\", \"component\": \"ARG\", \"entity_position\": 409, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.5945, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"707\", \"component\": \"GLY\", \"entity_position\": 428, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1822, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"708\", \"component\": \"SER\", \"entity_position\": 429, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9963, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"709\", \"component\": \"PRO\", \"entity_position\": 430, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2688, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"730\", \"component\": \"LEU\", \"entity_position\": 451, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.9479, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"756\", \"component\": \"GLU\", \"entity_position\": 477, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.6107, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"891\", \"component\": \"ARG\", \"entity_position\": 612, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.4935, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"892\", \"component\": \"SER\", \"entity_position\": 613, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.0533, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"893\", \"component\": \"TRP\", \"entity_position\": 614, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.8679, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif",
            "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
            "unique_heavy_atom_names": 26
          },
          "ligand_instance_id": "PDB:11NZ:LIG:BA:SAH:1001:.",
          "ligand_label_asym_id": "BA",
          "minimum_Pfam_distance_angstrom": 20.3537,
          "minimum_chain_distance_angstrom": 2.4935,
          "minimum_core_distance_angstrom": 25.8539,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "protein_label_asym_id": "F",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:11NZ:LIG:BA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3"
        },
        {
          "Pfam_contacts_5A": "[]",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 1.0,
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "11NZ",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": false,
          "gene": "DNMT3A",
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          "instance": {
            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 633, \"uniprot_ids\": [\"Q9Y6K1\"]}]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:11NZ:LIG:L:SAH:1001:.",
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            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif",
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          "minimum_Pfam_distance_angstrom": 23.3063,
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          "minimum_core_distance_angstrom": 25.5362,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:11NZ:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "source_coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3"
        },
        {
          "Pfam_contacts_5A": "[]",
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          "multiple_contacting_mapped_chains": 0,
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
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          "instance": {
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            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "RA",
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            "ligand_instance_id": "PDB:11NZ:LIG:RA:SAH:1001:.",
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11NZ/original.cif",
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          "minimum_Pfam_distance_angstrom": null,
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "11NZ",
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          "role": "biological cofactor",
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          "site_id": "PDB:11NZ:LIG:RA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
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          "Pfam_contacts_5A": "[]",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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          "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
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          "protein_id": "UP:Q9Y6K1",
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          "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:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "gene": "DNMT3A",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "HA",
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            "ligand_instance_id": "PDB:11OA:LIG:HA:SAH:1004:.",
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/11OA/original.cif",
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          "instance": {
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            "occupancy_min": 1.0,
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          "pdb_id": "8EIH",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 1.0,
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          "ligand_instance_id": "PDB:8EIH:LIG:J:SAH:901:.",
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          "minimum_Pfam_distance_angstrom": null,
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "8EIH",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
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        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "SAH",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "DNMT3B",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3B\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 650, \"uniprot_ids\": [\"Q9UBC3\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:8EII:LIG:E:SAH:901:.",
            "nearest_polypeptide_distance_angstrom": 2.3835,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "8EII",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"581\", \"component\": \"PHE\", \"entity_position\": 378, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3934, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"582\", \"component\": \"ASP\", \"entity_position\": 379, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8545, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"583\", \"component\": \"GLY\", \"entity_position\": 380, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6993, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"584\", \"component\": \"ILE\", \"entity_position\": 381, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0569, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"585\", \"component\": \"ALA\", \"entity_position\": 382, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8891, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"586\", \"component\": \"THR\", \"entity_position\": 383, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.795, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"604\", \"component\": \"SER\", \"entity_position\": 401, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.0773, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"605\", \"component\": \"GLU\", \"entity_position\": 402, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.5264, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"606\", \"component\": \"VAL\", \"entity_position\": 403, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5644, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"607\", \"component\": \"CYS\", \"entity_position\": 404, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8725, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"610\", \"component\": \"SER\", \"entity_position\": 407, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8668, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"627\", \"component\": \"ASP\", \"entity_position\": 424, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3835, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"628\", \"component\": \"VAL\", \"entity_position\": 425, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4323, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"648\", \"component\": \"GLY\", \"entity_position\": 445, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4225, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"650\", \"component\": \"PRO\", \"entity_position\": 447, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.522, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"671\", \"component\": \"LEU\", \"entity_position\": 468, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3719, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"832\", \"component\": \"ARG\", \"entity_position\": 629, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7516, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"833\", \"component\": \"SER\", \"entity_position\": 630, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2317, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"834\", \"component\": \"TRP\", \"entity_position\": 631, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7581, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EII/original.cif",
            "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd",
            "unique_heavy_atom_names": 26
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          "ligand_instance_id": "PDB:8EII:LIG:E:SAH:901:.",
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          "minimum_Pfam_distance_angstrom": null,
          "minimum_chain_distance_angstrom": 2.3835,
          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "8EII",
          "protein_id": "UP:Q9UBC3",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:8EII:LIG:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_coordinate_sha256": "5035b50d97c6361eeec23854535f33b7f8dfc997bdf34bb2665fededdf1c19bd"
        },
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          "Pfam_contacts_5A": "[]",
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          "role": "biological cofactor",
          "role_category": "functional",
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          "instance": {
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
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          "pdb_id": "8EIJ",
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          "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:8EIJ:LIG:D:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "multiple_contacting_mapped_chains": 0,
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_min": 1.0,
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            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3B__HUMAN__Q9UBC3/Unclassified_Review/8EIK/original.cif",
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "8EIK",
          "protein_id": "UP:Q9UBC3",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
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          "minimum_Pfam_distance_angstrom": null,
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9E00",
          "protein_id": "UP:Q9Y6K1",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0F/original.cif",
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          "minimum_core_distance_angstrom": 50.636,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9E0F",
          "protein_id": "UP:Q9Y6K1",
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          "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:9E0F:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
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          "covalent_connection_ids": "[]",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "instance": {
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            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:9E0G:LIG:O:SAH:1004:.",
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E0G/original.cif",
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          "minimum_core_distance_angstrom": 52.729,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9E0G",
          "protein_id": "UP:Q9Y6K1",
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          "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:9E0G:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
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            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:9E2D:LIG:KA:SAH:1004:.",
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            "occupancy_min": 1.0,
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            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9E2D/original.cif",
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          "minimum_Pfam_distance_angstrom": 41.596,
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          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9E2D",
          "protein_id": "UP:Q9Y6K1",
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          "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:9E2D:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:T",
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          "pdb_id": "9E2Q",
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            "reference_model": "1",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:9MP0:LIG:R:SAH:1004:.",
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            "occupancy_max": 1.0,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "reference_model": "1",
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          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9Y4P",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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          "biochemical_activity_inferred": 0,
          "ccd_id": "SAH",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"640\", \"component\": \"PHE\", \"entity_position\": 417, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.3601, \"uniprot_position\": 640}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"642\", \"component\": \"GLY\", \"entity_position\": 419, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.184, \"uniprot_position\": 642}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"643\", \"component\": \"ILE\", \"entity_position\": 420, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7964, \"uniprot_position\": 643}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"664\", \"component\": \"GLU\", \"entity_position\": 441, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.6701, \"uniprot_position\": 664}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"665\", \"component\": \"VAL\", \"entity_position\": 442, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.9915, \"uniprot_position\": 665}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"666\", \"component\": \"CYS\", \"entity_position\": 443, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": 666}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"669\", \"component\": \"SER\", \"entity_position\": 446, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.4652, \"uniprot_position\": 669}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"686\", \"component\": \"ASP\", \"entity_position\": 463, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9823, \"uniprot_position\": 686}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"707\", \"component\": \"GLY\", \"entity_position\": 484, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.2806, \"uniprot_position\": 707}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"709\", \"component\": \"PRO\", \"entity_position\": 486, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.6379, \"uniprot_position\": 709}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"727\", \"component\": \"THR\", \"entity_position\": 504, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.806, \"uniprot_position\": 727}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"888\", \"component\": \"LEU\", \"entity_position\": 665, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.05, \"uniprot_position\": 888}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"891\", \"component\": \"ARG\", \"entity_position\": 668, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.1373, \"uniprot_position\": 891}]",
          "chain_id": "PDB:9Y4P:CHAIN:Z:UP:Q9Y6K1",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "DNMT3A",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"d\"]",
            "auth_seq_id": "1004",
            "ccd_id": "SAH",
            "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"DNA (cytosine-5)-methyltransferase 3A\", \"entity_id\": \"9\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"Z\", \"sequence_length\": 689, \"uniprot_ids\": [\"Q9Y6K1\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 26,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "VA",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:9Y4P:LIG:VA:SAH:1004:.",
            "nearest_polypeptide_distance_angstrom": 2.6701,
            "nearest_polypeptide_label_asym_id": "Z",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "9Y4P",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"d\", \"auth_seq_id\": \"640\", \"component\": \"PHE\", \"entity_position\": 417, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.3601, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"642\", \"component\": \"GLY\", \"entity_position\": 419, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.184, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"643\", \"component\": \"ILE\", \"entity_position\": 420, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.7964, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"664\", \"component\": \"GLU\", \"entity_position\": 441, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.6701, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"665\", \"component\": \"VAL\", \"entity_position\": 442, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 2.9915, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"666\", \"component\": \"CYS\", \"entity_position\": 443, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.3813, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"669\", \"component\": \"SER\", \"entity_position\": 446, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.4652, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"686\", \"component\": \"ASP\", \"entity_position\": 463, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.9823, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"707\", \"component\": \"GLY\", \"entity_position\": 484, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.2806, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"709\", \"component\": \"PRO\", \"entity_position\": 486, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.6379, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"727\", \"component\": \"THR\", \"entity_position\": 504, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.806, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"888\", \"component\": \"LEU\", \"entity_position\": 665, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 4.05, \"uniprot_position\": null}, {\"auth_asym_id\": \"d\", \"auth_seq_id\": \"891\", \"component\": \"ARG\", \"entity_position\": 668, \"label_asym_id\": \"Z\", \"minimum_distance_angstrom\": 3.1373, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/DNMT3A__HUMAN__Q9Y6K1/Complexes/9Y4P/original.cif",
            "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
            "unique_heavy_atom_names": 26
          },
          "ligand_instance_id": "PDB:9Y4P:LIG:VA:SAH:1004:.",
          "ligand_label_asym_id": "VA",
          "minimum_Pfam_distance_angstrom": null,
          "minimum_chain_distance_angstrom": 2.6701,
          "minimum_core_distance_angstrom": null,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "9Y4P",
          "protein_id": "UP:Q9Y6K1",
          "protein_label_asym_id": "Z",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "biological cofactor",
          "role_category": "functional",
          "site_id": "PDB:9Y4P:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "source_coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 0,
      "context_pdb_count": 24,
      "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": 98,
        "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:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
        "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "S-ADENOSYL-L-HOMOCYSTEINE",
        "other_pdb_component": true,
        "other_site_count": 98,
        "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:8EIJ:LIG:D:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIH:LIG:F:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIK:LIG:G:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EII:LIG:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:11OA:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11NZ:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9PRW:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OI:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:J:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:8EIK:LIG:K:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EII:LIG:I:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIJ:LIG:H:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:11NZ:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:11OA:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:11OH:LIG:M:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OI:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MPO:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:8EIK:LIG:O:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:D",
          "PDB:11OA:LIG:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11OI:LIG:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OH:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:11NZ:LIG:S:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9MPO:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11OH:LIG:I:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11OA:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11NZ:LIG:W:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OI:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9PRW:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9MPO:LIG:P:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OA:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11NZ:LIG:X:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:T:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:11OA:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:11NZ:LIG:BA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MPO:LIG:X:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:11OA:LIG:QA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11NZ:LIG:IA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:11NZ:LIG:JA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11OA:LIG:XA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:11OA:LIG:YA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11NZ:LIG:NA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "PDB:11OA:LIG:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J",
          "PDB:11NZ:LIG:RA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
          "PDB:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K",
          "PDB:9E0G:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9MPP:LIG:V:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "PDB:9E2D:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:X",
          "PDB:9E2Q:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9E05:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9E3R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9E00:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9E2R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L",
          "PDB:9MP0:LIG:N:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OA:LIG:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "PDB:9MP0:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:9MPP:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:K",
          "PDB:11OA:LIG:LB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "PDB:9MP0:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:11OA:LIG:PB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "PDB:9MP0:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:6PA7:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "PDB:11OA:LIG:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P",
          "PDB:11OA:LIG:XB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Q",
          "PDB:9MP0:LIG:DA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MP0:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "PDB:9MP0:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "PDB:9E0F:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9MP0:LIG:PA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:9E3U:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "PDB:9E2D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:S",
          "PDB:9E2Q:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E00:LIG:DA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E05:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3D:LIG:CA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E0G:LIG:K:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9E2D:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:W",
          "PDB:9E2Q:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E05:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E00:LIG:LA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E3R:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2R:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E0F:LIG:O:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9E3U:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "PDB:9E2D:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:T",
          "PDB:9E2Q:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3R:LIG:HA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2R:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E00:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E05:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9Y4P:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9Y4P:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y"
        ],
        "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:11NZ:LIG:BA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "356d7dbef2150e7da14f3292657b228a2292bb71119da5f141ce901b45aad8e3",
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11NZ:LIG:BA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:BA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:IA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:IA:SAH:1004:.",
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          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:IA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
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          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:JA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:JA:SAH:1001:.",
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          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "site_id": "PDB:11NZ:LIG:JA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:K:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:L:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:NA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:NA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:NA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:RA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:J": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11NZ:LIG:RA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:RA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:J",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:S:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:11NZ:LIG:S:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:S:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:W:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:11NZ:LIG:W:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:W:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11NZ:LIG:X:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11NZ:LIG:X:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11NZ",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11NZ:LIG:X:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11NZ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11OA:LIG:AA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:AA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:11OA:LIG:FB:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:FB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:J",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11OA:LIG:GB:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:GB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:L",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11OA:LIG:HA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11OA:LIG:KB:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:KB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:11OA:LIG:LA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "11OA",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OA:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OA",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:LB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:N": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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        },
        "PDB:11OA:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": {
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        },
        "PDB:11OA:LIG:PB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:O": {
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          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:QA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:G": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": {
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P": {
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          "site_id": "PDB:11OA:LIG:WB:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:P",
          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OA:LIG:XA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OA:LIG:XB:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Q": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OA:LIG:YA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:I": {
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        },
        "PDB:11OA:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B": {
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          "source_role": "biological cofactor",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OH:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": {
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          "source_role": "biological cofactor",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OH:LIG:I:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": {
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        },
        "PDB:11OH:LIG:M:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": {
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          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OI:LIG:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": {
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          "ligand_instance_id": "PDB:11OI:LIG:G:SAH:1001:.",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OI:LIG:G:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OI:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": {
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          "ligand_instance_id": "PDB:11OI:LIG:K:SAH:1001:.",
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          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "site_id": "PDB:11OI:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:11OI:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E": {
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          "ligand_instance_id": "PDB:11OI:LIG:O:SAH:1001:.",
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          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OI:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OI",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:11OI:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:11OI:LIG:S:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "11OI",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:11OI:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/11OI",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:6PA7:LIG:R:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "6PA7",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6PA7:LIG:R:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/6PA7",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:6PA7:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:6PA7:LIG:S:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "6PA7",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:6PA7:LIG:S:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/6PA7",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIH:LIG:F:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:8EIH:LIG:F:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIH",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIH:LIG:F:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIH",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:8EIH:LIG:J:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIH",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIH:LIG:J:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIH",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EII:LIG:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:8EII:LIG:E:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EII",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EII:LIG:E:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EII",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EII:LIG:I:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:8EII:LIG:I:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EII",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EII:LIG:I:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EII",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIJ:LIG:D:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
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          "ligand_instance_id": "PDB:8EIJ:LIG:D:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIJ:LIG:D:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIJ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIJ:LIG:H:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:8EIJ:LIG:H:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIJ",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIJ:LIG:H:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIJ",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIK:LIG:G:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
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          "ligand_instance_id": "PDB:8EIK:LIG:G:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIK",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIK:LIG:G:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIK",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIK:LIG:K:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "ligand_instance_id": "PDB:8EIK:LIG:K:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIK",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIK:LIG:K:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIK",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:8EIK:LIG:O:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:D": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9UBC3:PWWP1",
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          "ligand_instance_id": "PDB:8EIK:LIG:O:SAH:901:.",
          "observed_other_component": true,
          "pdb_id": "8EIK",
          "protein_id": "UP:Q9UBC3",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:8EIK:LIG:O:SAH:901:.:SITE:UP:Q9UBC3:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/8EIK",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9E00:LIG:DA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:U": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9E00:LIG:DA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "9E00",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E00:LIG:DA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E00",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9E00:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9E00:LIG:HA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9E00",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E00:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E00",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9E00:LIG:LA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9E00:LIG:LA:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "9E00",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E00:LIG:LA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E00",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9E00:LIG:MA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9E00:LIG:MA:SAH:1001:.",
          "observed_other_component": true,
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        },
        "PDB:9E2Q:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z": {
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        },
        "PDB:9E2R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U": {
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        },
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        },
        "PDB:9E2R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z": {
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E2R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E2R",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:9E3D:LIG:CA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U": {
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          "observed_other_component": true,
          "pdb_id": "9E3D",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E3D:LIG:CA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E3D",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:9E3D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V": {
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          "observed_other_component": true,
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          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E3D:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "source_role": "biological cofactor",
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:9E3R:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U": {
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
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        "PDB:9E3R:LIG:HA:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:V": {
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        "PDB:9E3R:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y": {
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          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:9E3R:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z": {
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        },
        "PDB:9E3U:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:N": {
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E3U:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9E3U:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:O": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9E3U:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9E3U",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:DA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:DA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "source_role": "biological cofactor",
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          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        "PDB:9MP0:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F": {
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          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:HA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
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        },
        "PDB:9MP0:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G": {
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          "ligand_instance_id": "PDB:9MP0:LIG:LA:SAH:1004:.",
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          "pdb_id": "9MP0",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:LA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:G",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:N:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": {
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          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:PA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MP0:LIG:PA:SAH:1004:.",
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          "pdb_id": "9MP0",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:PA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MP0:LIG:R:SAH:1004:.",
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          "pdb_id": "9MP0",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MP0:LIG:V:SAH:1004:.",
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          "pdb_id": "9MP0",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:V:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MP0:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": {
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          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:9MP0:LIG:Z:SAH:1004:.",
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          "pdb_id": "9MP0",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MP0:LIG:Z:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MP0",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:J:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MPO:LIG:J:SAH:1004:.",
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          "pdb_id": "9MPO",
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          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:J:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MPO:LIG:K:SAH:1001:.",
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          "pdb_id": "9MPO",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:K:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C": {
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          "ligand_instance_id": "PDB:9MPO:LIG:L:SAH:1001:.",
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          "pdb_id": "9MPO",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:L:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:P:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MPO:LIG:P:SAH:1004:.",
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          "pdb_id": "9MPO",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:P:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:T:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E": {
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          "ligand_instance_id": "PDB:9MPO:LIG:T:SAH:1004:.",
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          "pdb_id": "9MPO",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:T:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPO:LIG:X:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F": {
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          "ligand_instance_id": "PDB:9MPO:LIG:X:SAH:1004:.",
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          "pdb_id": "9MPO",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPO:LIG:X:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:F",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPO",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPP:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:K": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:9MPP:LIG:R:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9MPP",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPP:LIG:R:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:K",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPP",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9MPP:LIG:V:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9MPP:LIG:V:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "9MPP",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9MPP:LIG:V:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9MPP",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9PRW:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
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          "ligand_instance_id": "PDB:9PRW:LIG:E:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "9PRW",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9PRW:LIG:E:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9PRW",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9PRW:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D": {
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          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
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          "ligand_instance_id": "PDB:9PRW:LIG:O:SAH:1001:.",
          "observed_other_component": true,
          "pdb_id": "9PRW",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9PRW:LIG:O:SAH:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9PRW",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9Y4P:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9Y4P:LIG:GA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9Y4P",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9Y4P:LIG:GA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9Y4P",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9Y4P:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9Y4P:LIG:KA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9Y4P",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9Y4P:LIG:KA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9Y4P",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9Y4P:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
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          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9Y4P:LIG:RA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9Y4P",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9Y4P:LIG:RA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9Y4P",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:9Y4P:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z": {
          "ccd_url": "https://www.rcsb.org/ligand/SAH",
          "chemical_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "compound_id": "INCHIKEY:ZJUKTBDSGOFHSH-WFMPWKQPSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "533eed738f27d838756d10676bb071c61e52b60f6413fe2e036501b162854d9e",
          "domain_id": "UP:Q9Y6K1:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:9Y4P:LIG:VA:SAH:1004:.",
          "observed_other_component": true,
          "pdb_id": "9Y4P",
          "protein_id": "UP:Q9Y6K1",
          "role_code": "non_pwwp_biological_cofactor",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:9Y4P:LIG:VA:SAH:1004:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "source_role": "biological cofactor",
          "source_url": "https://www.rcsb.org/structure/9Y4P",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}