{
  "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:Q8R5C8: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": [
        "N-TRIMETHYLLYSINE"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "2X4W",
        "2X4X",
        "2X4Y",
        "3MO8",
        "3QBY",
        "3QJ6",
        "4N4H",
        "4N4I",
        "5CIU",
        "6IIS"
      ],
      "bound_structure_count": 10,
      "category": "Structure-supported identity",
      "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "classifications": [],
      "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 2,
        "calculated_HBD": 2,
        "calculated_TPSA": 63.32,
        "calculated_formula": "C9H21N2O2+",
        "calculated_logP": 0.2748,
        "calculated_molecular_weight": 189.279,
        "computed_inchikey": "MXNRLFUSFKVQSK-QMMMGPOBSA-O",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "aa657b4e2dd68a2c7900-dark.svg",
          "light": "aa657b4e2dd68a2c7900-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:P55201:PWWP1",
        "UP:Q7Z4V5:PWWP1",
        "UP:Q8R5C8:PWWP1",
        "UP:Q9UBC3:PWWP1",
        "UP:Q9Y3E1:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "BRPF1",
        "DNMT3B",
        "HDGFL2",
        "HDGFL3",
        "Zmynd11"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "N-TRIMETHYLLYSINE"
        ],
        "ccd_ids": [
          "M3L"
        ],
        "ccd_names": "[\"N-TRIMETHYLLYSINE\"]",
        "ccd_types": "[\"L-PEPTIDE LINKING\"]",
        "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
        "connectivity_block": "MXNRLFUSFKVQSK",
        "curated_source_sha256": "f0456a25e0e7b3c5f8f4d59bbb3e48be6247a7a297fee9107530aa68e41b9b88",
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"M3L\": 1}",
        "formulae": "[\"C9 H21 N2 O2\"]",
        "geometry_note": "Chemical identity of one peptide-linking residue; not the entire peptide. Ideal CCD geometry is not a bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "MXNRLFUSFKVQSK-QMMMGPOBSA-O",
        "inventory_origin": "v1_1_supplemental_polymer_monomer",
        "isomeric_smiles": "C[N+](C)(C)CCCC[C@@H](C(=O)O)N",
        "primary_name": "N-TRIMETHYLLYSINE",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"M3L\": \"C[N+](C)(C)CCCC[C@@H](C(=O)O)N\"}",
        "source_metadata_sha256": "{}",
        "source_urls": [
          "https://www.rcsb.org/ligand/M3L"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "N-TRIMETHYLLYSINE",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 10,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [
        "UP:P55201",
        "UP:Q7Z4V5",
        "UP:Q8R5C8",
        "UP:Q9UBC3",
        "UP:Q9Y3E1"
      ],
      "relationships": [],
      "relevant": false,
      "search_text": "n-trimethyllysine inchikey:mxnrlfusfkvqsk-qmmmgpobsa-o n-trimethyllysine brpf1 dnmt3b hdgfl2 hdgfl3 zmynd11 up:p55201:pwwp1 up:q7z4v5:pwwp1 up:q8r5c8:pwwp1 up:q9ubc3:pwwp1 up:q9y3e1:pwwp1 2x4w 2x4x 2x4y 3mo8 3qby 3qj6 4n4h 4n4i 5ciu 6iis {\"aliases\":[\"n-trimethyllysine\"],\"ccd_ids\":[\"m3l\"],\"ccd_names\":\"[\\\"n-trimethyllysine\\\"]\",\"ccd_types\":\"[\\\"l-peptide linking\\\"]\",\"chemical_id\":\"inchikey:mxnrlfusfkvqsk-qmmmgpobsa-o\",\"connectivity_block\":\"mxnrlfusfkvqsk\",\"curated_source_sha256\":\"f0456a25e0e7b3c5f8f4d59bbb3e48be6247a7a297fee9107530aa68e41b9b88\",\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"m3l\\\": 1}\",\"formulae\":\"[\\\"c9 h21 n2 o2\\\"]\",\"geometry_note\":\"chemical identity of one peptide-linking residue; not the entire peptide. ideal ccd geometry is not a bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"mxnrlfusfkvqsk-qmmmgpobsa-o\",\"inventory_origin\":\"v1_1_supplemental_polymer_monomer\",\"isomeric_smiles\":\"c[n+](c)(c)cccc[c@@h](c(=o)o)n\",\"primary_name\":\"n-trimethyllysine\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"m3l\\\": \\\"c[n+](c)(c)cccc[c@@h](c(=o)o)n\\\"}\",\"source_metadata_sha256\":\"{}\",\"source_urls\":[\"https://www.rcsb.org/ligand/m3l\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/M3L"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "M3L",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]",
          "chain_id": "PDB:4N4H:CHAIN:A:UP:Q8R5C8",
          "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": 318}]",
          "covalent_connection_ids": "[\"PDB:4N4H:CONN:covale1\", \"PDB:4N4H:CONN:covale2\"]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "Zmynd11",
          "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": "36",
            "ccd_id": "M3L",
            "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
            "component_context": "polymer_modified_monomer",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}, {\"description\": \"Peptide from Histone H3.1\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 22, \"uniprot_ids\": [\"P68431\"]}]",
            "covalent_connection_ids": "[\"PDB:4N4H:CONN:covale1\", \"PDB:4N4H:CONN:covale2\"]",
            "heavy_atom_row_count": 12,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "B",
            "label_seq_id": "16",
            "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16",
            "nearest_polypeptide_distance_angstrom": 1.3282,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4H",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7395, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.583, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5843, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.698, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4743, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6172, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4516, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 14, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.3703, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 15, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3286, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3282, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 18, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5276, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4H/original.cif",
            "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
            "unique_heavy_atom_names": 12
          },
          "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16",
          "ligand_label_asym_id": "B",
          "minimum_Pfam_distance_angstrom": 2.6172,
          "minimum_chain_distance_angstrom": 2.6172,
          "minimum_core_distance_angstrom": 2.6172,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": null,
          "role_category": null,
          "site_id": "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "M3L",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]",
          "chain_id": "PDB:4N4I:CHAIN:A:UP:Q8R5C8",
          "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": 288}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": 291}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": 294}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": 310}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": 318}]",
          "covalent_connection_ids": "[\"PDB:4N4I:CONN:covale1\", \"PDB:4N4I:CONN:covale2\"]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "Zmynd11",
          "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": "36",
            "ccd_id": "M3L",
            "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
            "component_context": "polymer_modified_monomer",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}, {\"description\": \"Peptide from Histone H3.3\", \"entity_id\": \"2\", \"is_PWWP_family_protein\": false, \"label_asym_id\": \"B\", \"sequence_length\": 24, \"uniprot_ids\": [\"P84243\"]}]",
            "covalent_connection_ids": "[\"PDB:4N4I:CONN:covale1\", \"PDB:4N4I:CONN:covale2\"]",
            "heavy_atom_row_count": 12,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "B",
            "label_seq_id": "18",
            "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18",
            "nearest_polypeptide_distance_angstrom": 1.3258,
            "nearest_polypeptide_label_asym_id": "B",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4I",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"288\", \"component\": \"MET\", \"entity_position\": 169, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7105, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"291\", \"component\": \"PHE\", \"entity_position\": 172, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6159, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"294\", \"component\": \"TRP\", \"entity_position\": 175, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6241, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"310\", \"component\": \"PHE\", \"entity_position\": 191, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.756, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLN\", \"entity_position\": 197, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6531, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"ARG\", \"entity_position\": 198, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.6782, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"ALA\", \"entity_position\": 199, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5156, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"34\", \"component\": \"GLY\", \"entity_position\": 16, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.5047, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"35\", \"component\": \"VAL\", \"entity_position\": 17, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3299, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"37\", \"component\": \"LYS\", \"entity_position\": 19, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 1.3258, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"38\", \"component\": \"PRO\", \"entity_position\": 20, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.6352, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4I/original.cif",
            "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
            "unique_heavy_atom_names": 12
          },
          "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18",
          "ligand_label_asym_id": "B",
          "minimum_Pfam_distance_angstrom": 2.6782,
          "minimum_chain_distance_angstrom": 2.6782,
          "minimum_core_distance_angstrom": 2.6782,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": null,
          "role_category": null,
          "site_id": "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 2,
      "context_pdb_count": 2,
      "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:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
        "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "N-TRIMETHYLLYSINE",
        "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:3MO8:LIG:B:M3L:7:7:SITE:UP:P55201:PWWP1:A",
          "PDB:2X4Y:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A",
          "PDB:2X4W:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A",
          "PDB:2X4X:LIG:B:M3L:36:15:SITE:UP:P55201:PWWP1:A",
          "PDB:3QJ6:LIG:B:M3L:79:7:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:6IIS:LIG:E:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:A",
          "PDB:5CIU:LIG:D:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:A",
          "PDB:3QBY:LIG:D:M3L:20:6:SITE:UP:Q7Z4V5:PWWP1:B",
          "PDB:6IIS:LIG:F:M3L:36:4:SITE:UP:Q9Y3E1:PWWP1:B",
          "PDB:5CIU:LIG:C:M3L:36:9:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:2X4Y:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C",
          "PDB:2X4X:LIG:D:M3L:36:15:SITE:UP:P55201:PWWP1:C",
          "PDB:2X4X:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E",
          "PDB:2X4Y:LIG:F:M3L:36:15:SITE:UP:P55201:PWWP1:E",
          "PDB:2X4Y:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G",
          "PDB:2X4X:LIG:H:M3L:36:15:SITE:UP:P55201:PWWP1:G",
          "PDB:2X4Y:LIG:J:M3L:36:15:SITE:UP:P55201:PWWP1:I",
          "PDB:2X4Y:LIG:L:M3L:36:15:SITE:UP:P55201:PWWP1:K",
          "PDB:2X4Y:LIG:N:M3L:36:15:SITE:UP:P55201:PWWP1:M",
          "PDB:2X4Y:LIG:P:M3L:36:15:SITE:UP:P55201:PWWP1:O"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 0,
        "uncertain_site_count": 23,
        "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:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/M3L",
          "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4N4H:LIG:B:M3L:36:16",
          "observed_other_component": false,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "role_code": "unclassified_biological_component",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:4N4H:LIG:B:M3L:36:16:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": null,
          "source_url": "https://www.rcsb.org/structure/4N4H",
          "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:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/M3L",
          "chemical_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "compound_id": "INCHIKEY:MXNRLFUSFKVQSK-QMMMGPOBSA-O",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4N4I:LIG:B:M3L:36:18",
          "observed_other_component": false,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "role_code": "unclassified_biological_component",
          "role_group": "context_unresolved",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:4N4I:LIG:B:M3L:36:18:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": null,
          "source_url": "https://www.rcsb.org/structure/4N4I",
          "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
    },
    {
      "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\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2426, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6411, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2633, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3665, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]",
          "chain_id": "PDB:4N4G:CHAIN:A:UP:Q8R5C8",
          "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\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": 299}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "Zmynd11",
          "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": "401",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 1,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "B",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.",
            "nearest_polypeptide_distance_angstrom": 2.0336,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4G",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2426, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6411, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2633, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3665, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0336, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9061, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/APO/4N4G/original.cif",
            "source_coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.",
          "ligand_label_asym_id": "B",
          "minimum_Pfam_distance_angstrom": 2.0336,
          "minimum_chain_distance_angstrom": 2.0336,
          "minimum_core_distance_angstrom": 2.0336,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4G",
          "protein_id": "UP:Q8R5C8",
          "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:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2957, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6455, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3882, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]",
          "chain_id": "PDB:4N4H:CHAIN:A:UP:Q8R5C8",
          "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\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": 299}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "Zmynd11",
          "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": "401",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]",
            "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:4N4H:LIG:C:ZN:401:.",
            "nearest_polypeptide_distance_angstrom": 2.0243,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4H",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2957, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.6455, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.323, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3882, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.0243, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8352, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4H/original.cif",
            "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.",
          "ligand_label_asym_id": "C",
          "minimum_Pfam_distance_angstrom": 2.0243,
          "minimum_chain_distance_angstrom": 2.0243,
          "minimum_core_distance_angstrom": 2.0243,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "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:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "ZN",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2419, \"uniprot_position\": 258}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.639, \"uniprot_position\": 260}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3086, \"uniprot_position\": 261}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3888, \"uniprot_position\": 277}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]",
          "chain_id": "PDB:4N4I:CHAIN:A:UP:Q8R5C8",
          "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\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": 281}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": 299}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "Zmynd11",
          "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": "401",
            "ccd_id": "ZN",
            "chemical_id": "INCHIKEY:PTFCDOFLOPIGGS-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]",
            "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:4N4I:LIG:C:ZN:401:.",
            "nearest_polypeptide_distance_angstrom": 2.1006,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4I",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"258\", \"component\": \"CYS\", \"entity_position\": 139, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.2419, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"260\", \"component\": \"ASN\", \"entity_position\": 141, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.639, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"261\", \"component\": \"CYS\", \"entity_position\": 142, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3086, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"277\", \"component\": \"CYS\", \"entity_position\": 158, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.3888, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"281\", \"component\": \"HIS\", \"entity_position\": 162, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.1006, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"299\", \"component\": \"MET\", \"entity_position\": 180, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8648, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4I/original.cif",
            "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
            "unique_heavy_atom_names": 1
          },
          "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.",
          "ligand_label_asym_id": "C",
          "minimum_Pfam_distance_angstrom": 2.1006,
          "minimum_chain_distance_angstrom": 2.1006,
          "minimum_core_distance_angstrom": 2.1006,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "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:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 3,
      "context_pdb_count": 3,
      "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": 3,
        "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": [
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          "PDB:8EIJ:LIG:E:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EII:LIG:F:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIK:LIG:H:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EII:LIG:G:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIH:LIG:H:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIK:LIG:I:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIJ:LIG:F:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIJ:LIG:G:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIK:LIG:J:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EIH:LIG:I:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:8EII:LIG:H:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:9PRW:LIG:F:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OA:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OI:LIG:P:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9LQ1:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OA:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9PRW:LIG:G:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OI:LIG:Q:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9LQ1:LIG:H:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OA:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9PRW:LIG:H:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:11OI:LIG:R:ZN:1004:.:SITE:UP:Q9Y6K1:PWWP1:E",
          "PDB:9MPO:LIG:I:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:9LQ1:LIG:G:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:A",
          "PDB:4COS:LIG:C:ZN:1401:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:9T2G:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:9T2F:LIG:C:ZN:502:.:SITE:UP:Q9ULU4:PWWP1:A",
          "PDB:8EII:LIG:J:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIH:LIG:K:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIJ:LIG:I:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIK:LIG:L:ZN:902:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIJ:LIG:J:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EII:LIG:K:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIH:LIG:L:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIK:LIG:M:ZN:903:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIK:LIG:N:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIH:LIG:M:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EII:LIG:L:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:8EIJ:LIG:K:ZN:904:.:SITE:UP:Q9UBC3:PWWP1:B",
          "PDB:11NZ:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:11OA:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:B",
          "PDB:11OH:LIG:N:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:11OI:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:F",
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          "PDB:9MP0:LIG:MA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:9E3U:LIG:S:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "PDB:9E2D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:S",
          "PDB:9E05:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3D:LIG:Z:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3R:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2Q:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E0F:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9MP0:LIG:NA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:9E3U:LIG:T:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "PDB:9E2D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:S",
          "PDB:9E3D:LIG:AA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3R:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2Q:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E05:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E0F:LIG:J:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9MP0:LIG:OA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:H",
          "PDB:9E3U:LIG:U:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:N",
          "PDB:9E2D:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:S",
          "PDB:9E05:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3D:LIG:BA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E3R:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9E2Q:LIG:FA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:U",
          "PDB:9Q7U:LIG:O:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:K",
          "PDB:9E0F:LIG:E:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:9E3U:LIG:P:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:L",
          "PDB:9E2D:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:Q",
          "PDB:9E3R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E2R:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E3D:LIG:W:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E2Q:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E05:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E00:LIG:AA:ZN:1001:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9Q7U:LIG:P:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:K",
          "PDB:9E0F:LIG:F:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:9E3U:LIG:Q:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:L",
          "PDB:9E2D:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:Q",
          "PDB:9E2R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E3D:LIG:X:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E3R:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E2Q:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E05:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E00:LIG:BA:ZN:1002:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9Q7U:LIG:Q:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:K",
          "PDB:9E0F:LIG:G:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:A",
          "PDB:9E3U:LIG:R:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:L",
          "PDB:9E2D:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:Q",
          "PDB:9E3R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E3D:LIG:Y:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E2R:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E2Q:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E05:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E00:LIG:CA:ZN:1003:.:SITE:UP:Q9UBC3:PWWP1:S",
          "PDB:9E0G:LIG:H:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9E2D:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:W",
          "PDB:9E05:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E3R:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2Q:LIG:OA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E0G:LIG:I:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:C",
          "PDB:9E2D:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:W",
          "PDB:9E05:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "PDB:9E2R:LIG:PA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:Y",
          "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",
          "PDB:9E0F:LIG:L:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9E3U:LIG:W:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "PDB:9E2D:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:T",
          "PDB:9E3R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3D:LIG:DA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2R:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2Q:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E05:LIG:HA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E00:LIG:EA:ZN:1001:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E0F:LIG:M:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:D",
          "PDB:9E3U:LIG:X:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:O",
          "PDB:9E2D:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:T",
          "PDB:9E3R:LIG:JA:ZN:1003:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2R:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E3D:LIG:EA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "PDB:9E2Q:LIG:IA:ZN:1002:.:SITE:UP:Q9Y6K1:PWWP1:V",
          "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:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8: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": "09c84041074f997e0da769246ca10975646dd36ae29032fa490130f7f2beb56e",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4N4G:LIG:B:ZN:401:.",
          "observed_other_component": false,
          "pdb_id": "4N4G",
          "protein_id": "UP:Q8R5C8",
          "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:4N4G:LIG:B:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4N4G",
          "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:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8: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": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4N4H:LIG:C:ZN:401:.",
          "observed_other_component": false,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "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:4N4H:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4N4H",
          "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:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8: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": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:4N4I:LIG:C:ZN:401:.",
          "observed_other_component": false,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "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:4N4I:LIG:C:ZN:401:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": "ion/cofactor_requires_context",
          "source_url": "https://www.rcsb.org/structure/4N4I",
          "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
    }
  ]
}