{
  "version": {
    "version": "phase5-1.0.0",
    "date": "2026-10-26",
    "frozen_database_sha256": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6",
    "chemical_identities": 148,
    "profiles": 163,
    "relevant_profiles": 132,
    "preparations": 30,
    "observations": 80,
    "frozen_observations": 46,
    "new_observations": 34,
    "bioactivity_only_profiles": 21,
    "exact_PWWP_structural_profiles": 130,
    "verified_depictions": 139,
    "reconciled_duplicate_rows": 0,
    "candidate_records": 150,
    "curated_scope": "Documented targeted snapshot; not an exhaustive inventory of all literature compounds. Coordinate proximity and assay measurements are independent evidence dimensions."
  },
  "filters": {
    "q": "",
    "protein": "",
    "domain": "UP:Q9ULD4:PWWP1",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
    "year": "",
    "organism": "",
    "construct": "",
    "status": "",
    "missing": "",
    "scope": "relevant",
    "view": "unresolved",
    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "ZINC ION"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "11NZ",
        "11OA",
        "11OH",
        "11OI",
        "3PFS",
        "4COS",
        "4N4G",
        "4N4H",
        "4N4I",
        "4NS5",
        "5B73",
        "5Y1Z",
        "7CRO",
        "7CRP",
        "7CRQ",
        "7CRR",
        "7OUF",
        "7OUG",
        "7OUH",
        "7PEL",
        "8EIH",
        "8EII",
        "8EIJ",
        "8EIK",
        "9E00",
        "9E05",
        "9E0F",
        "9E0G",
        "9E2D",
        "9E2Q",
        "9E2R",
        "9E3D",
        "9E3R",
        "9E3U",
        "9LQ1",
        "9MP0",
        "9MPO",
        "9MPP",
        "9PRW",
        "9Q7U",
        "9S28",
        "9S29",
        "9T2F",
        "9T2G",
        "9Y4P",
        "9Y61"
      ],
      "bound_structure_count": 10,
      "category": "Structure-supported identity",
      "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 0,
        "calculated_HBD": 0,
        "calculated_TPSA": 0.0,
        "calculated_formula": "Zn+2",
        "calculated_logP": -0.0025,
        "calculated_molecular_weight": 65.39,
        "computed_inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "1d062bf1026ebf430b2a-dark.svg",
          "light": "1d062bf1026ebf430b2a-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:Q15326:PWWP1",
        "UP:Q8R5C8:PWWP1",
        "UP:Q9ULD4:PWWP1",
        "UP:Q9ULU4:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "BRPF3",
        "ZMYND11",
        "ZMYND8",
        "Zmynd11"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "ZINC ION"
        ],
        "ccd_ids": [
          "ZN"
        ],
        "ccd_names": "[\"ZINC ION\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "connectivity_block": "PTFCDOFLOPIGGS",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"ZN\": 2}",
        "formulae": "[\"Zn\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "[Zn+2]",
        "primary_name": "ZINC ION",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"ZN\": \"[Zn+2]\"}",
        "source_metadata_sha256": "{\"ZN\": \"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/ZN"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "ZINC ION",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 46,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [
        "UP:Q15326",
        "UP:Q8R5C8",
        "UP:Q9ULD4",
        "UP:Q9ULU4"
      ],
      "relationships": [],
      "relevant": false,
      "search_text": "zinc ion inchikey:ptfcdoflopiggs-uhfffaoysa-n zinc ion brpf3 zmynd11 zmynd8 zmynd11 up:q15326:pwwp1 up:q8r5c8:pwwp1 up:q9uld4:pwwp1 up:q9ulu4:pwwp1 11nz 11oa 11oh 11oi 3pfs 4cos 4n4g 4n4h 4n4i 4ns5 5b73 5y1z 7cro 7crp 7crq 7crr 7ouf 7oug 7ouh 7pel 8eih 8eii 8eij 8eik 9e00 9e05 9e0f 9e0g 9e2d 9e2q 9e2r 9e3d 9e3r 9e3u 9lq1 9mp0 9mpo 9mpp 9prw 9q7u 9s28 9s29 9t2f 9t2g 9y4p 9y61 {\"aliases\":[\"zinc ion\"],\"ccd_ids\":[\"zn\"],\"ccd_names\":\"[\\\"zinc ion\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:ptfcdoflopiggs-uhfffaoysa-n\",\"connectivity_block\":\"ptfcdoflopiggs\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"zn\\\": 2}\",\"formulae\":\"[\\\"zn\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"ptfcdoflopiggs-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"[zn+2]\",\"primary_name\":\"zinc ion\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"zn\\\": \\\"[zn+2]\\\"}\",\"source_metadata_sha256\":\"{\\\"zn\\\": \\\"1c14113a1e548349dad66cb5b6c42ed790238cef31d7894324afbc6d2e78760b\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/zn\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/ZN"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]",
          "chain_id": "PDB:3PFS:CHAIN:A:UP:Q9ULD4",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": 1087}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": 1146}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULD4:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "BRPF3",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "1200",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Bromodomain and PHD finger-containing protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 158, \"uniprot_ids\": [\"Q9ULD4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "C",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.",
            "nearest_polypeptide_distance_angstrom": 2.2127,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3PFS",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2127, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1087\", \"component\": \"TYR\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.912, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6971, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6639, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/BRPF3__HUMAN__Q9ULD4/APO/3PFS/original.cif",
            "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8",
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          "minimum_chain_distance_angstrom": 2.2127,
          "minimum_core_distance_angstrom": 2.2127,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3PFS",
          "protein_id": "UP:Q9ULD4",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
          "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
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          "chain_id": "PDB:3PFS:CHAIN:B:UP:Q9ULD4",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1084\", \"component\": \"CYS\", \"entity_position\": 47, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 2.1314, \"uniprot_position\": 1084}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1138\", \"component\": \"PHE\", \"entity_position\": 101, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7336, \"uniprot_position\": 1138}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"1146\", \"component\": \"GLN\", \"entity_position\": 109, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7967, \"uniprot_position\": 1146}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q9ULD4:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "BRPF3",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
            "auth_seq_id": "1200",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Bromodomain and PHD finger-containing protein 3\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 158, \"uniprot_ids\": [\"Q9ULD4\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.",
            "nearest_polypeptide_distance_angstrom": 2.1314,
            "nearest_polypeptide_label_asym_id": "B",
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            "occupancy_min": 1.0,
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          "minimum_Pfam_distance_angstrom": 2.1314,
          "minimum_chain_distance_angstrom": 2.1314,
          "minimum_core_distance_angstrom": 2.1314,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "3PFS",
          "protein_id": "UP:Q9ULD4",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "ion/cofactor_requires_context",
          "role_category": "incidental",
          "site_id": "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B",
          "source_coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 1,
      "context_pdb_count": 1,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "PWWP-proximal structure",
      "science": {
        "studied_compound": false,
        "measured_count": 0,
        "structural_research_ligand": false,
        "research_pdb_count": 0,
        "other_component": false,
        "component_site_count": 0,
        "verification_queue": true,
        "positive_direct_binder": false,
        "reported_probe": false,
        "reported_control": false,
        "cellular_activity": false,
        "protein_degradation": false,
        "bioactivity_only": false,
        "research_site_count": 0,
        "unknown_site_count": 2,
        "annotation_roles": [
          "unresolved"
        ]
      },
      "science_label": "Identity / evidence review pending",
      "science_profile": {
        "annotation_roles": [
          "unresolved"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "ZINC ION",
        "other_pdb_component": false,
        "other_site_count": 0,
        "positive_direct_binder": false,
        "primary_view": "unresolved",
        "protein_degradation": false,
        "reported_control": false,
        "reported_probe": false,
        "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
        "source_observation_ids": [],
        "source_site_ids": [
          "PDB:4COS:LIG:D:ZN:1402:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:9T2F:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
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          "PDB:5B73:LIG:D:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:A",
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          "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
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          "PDB:9Q7U:LIG:V:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
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          "PDB:11OA:LIG:HB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "PDB:9MP0:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:9MPP:LIG:O:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:K",
          "PDB:11OA:LIG:IB:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:M",
          "PDB:9MP0:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
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          "PDB:11OA:LIG:JB:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:M",
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          "PDB:9MPP:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:K",
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          "PDB:9MP0:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
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          "PDB:11OA:LIG:TB:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:P",
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          "PDB:9MP0:LIG:JA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:G",
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          "PDB:9E0F:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
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          "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
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          "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
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          "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
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          "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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          "PDB:9E2Q:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E3R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E0G:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9E2D:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:W",
          "PDB:9E05:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E3R:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2Q:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
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          "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O",
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          "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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          "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
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          "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
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          "PDB:9E05:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E00:LIG:FA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E0F:LIG:N:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9E3U:LIG:Y:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "PDB:9E2D:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:T",
          "PDB:9E3R:LIG:KA:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2Q:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E05:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E00:LIG:GA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9Y4P:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9Y4P:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9Y4P:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9Y4P:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9Y4P:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9Y4P:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9Y4P:LIG:SA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9Y4P:LIG:TA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9Y4P:LIG:UA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Z",
          "PDB:9Y4P:LIG:LA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:W",
          "PDB:9Y4P:LIG:MA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:W",
          "PDB:9Y4P:LIG:NA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:W",
          "PDB:9Y4P:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9Y4P:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9Y4P:LIG:QA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
          "PDB:4COS:LIG:B:ZN:1400:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:9T2F:LIG:E:ZN:504:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:9T2G:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:4NS5:LIG:B:ZN:401:.:SITE:UP:Q15326:PWWP1:A",
          "PDB:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:5B73:LIG:B:ZN:501:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B",
          "PDB:5Y1Z:LIG:G:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:C",
          "PDB:5Y1Z:LIG:N:ZN:503:.:SITE:UP:Q9ULU4:PWWP1:D"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 0,
        "uncertain_site_count": 379,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
        "verification_queue": true,
        "verification_status": "source_scoped_mixed"
      },
      "science_site_roles": {
        "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8",
          "domain_id": "UP:Q9ULD4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3PFS:LIG:C:ZN:1200:.",
          "observed_other_component": false,
          "pdb_id": "3PFS",
          "protein_id": "UP:Q9ULD4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3PFS:LIG:C:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/3PFS",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/ZN",
          "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8",
          "domain_id": "UP:Q9ULD4:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3PFS:LIG:E:ZN:1200:.",
          "observed_other_component": false,
          "pdb_id": "3PFS",
          "protein_id": "UP:Q9ULD4",
          "role_code": "ion_cofactor_role_unresolved",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3PFS:LIG:E:ZN:1200:.:SITE:UP:Q9ULD4:PWWP1:B",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/3PFS",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}