{
  "version": {
    "version": "phase5-1.0.0",
    "date": "2026-10-26",
    "frozen_database_sha256": "0c53107a39e222b48611302b21fda5fb4ed50b190b6b39d41423ccc5ca5958f6",
    "chemical_identities": 148,
    "profiles": 163,
    "relevant_profiles": 132,
    "preparations": 30,
    "observations": 80,
    "frozen_observations": 46,
    "new_observations": 34,
    "bioactivity_only_profiles": 21,
    "exact_PWWP_structural_profiles": 130,
    "verified_depictions": 139,
    "reconciled_duplicate_rows": 0,
    "candidate_records": 150,
    "curated_scope": "Documented targeted snapshot; not an exhaustive inventory of all literature compounds. Coordinate proximity and assay measurements are independent evidence dimensions."
  },
  "filters": {
    "q": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
    "protein": "",
    "domain": "",
    "bound": "",
    "pdb": "",
    "identity": "",
    "role": "",
    "method": "",
    "endpoint": "",
    "relation": "",
    "potency_min": "",
    "potency_max": "",
    "source": "",
    "year": "",
    "organism": "",
    "construct": "",
    "status": "",
    "missing": "",
    "scope": "all_components",
    "view": "gallery",
    "sort": ""
  },
  "compounds": [
    {
      "aliases": [
        "MRT866",
        "~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide"
      ],
      "assay_count": 1,
      "associated_pdb_ids": [
        "7LMT",
        "7MDN"
      ],
      "bound_structure_count": 2,
      "category": "Bioactivity + bound structure",
      "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 4,
        "calculated_HBD": 1,
        "calculated_TPSA": 58.64,
        "calculated_formula": "C17H16N2O3S",
        "calculated_logP": 2.8838,
        "calculated_molecular_weight": 328.393,
        "computed_inchikey": "XPHOPAPMJBSLFN-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "0676c56a7ccd71580320-dark.svg",
          "light": "0676c56a7ccd71580320-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:O96028:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "NSD2"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide"
        ],
        "ccd_ids": [
          "Y6V"
        ],
        "ccd_names": "[\"~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
        "connectivity_block": "XPHOPAPMJBSLFN",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"Y6V\": 0}",
        "formulae": "[\"C17 H16 N2 O3 S\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "XPHOPAPMJBSLFN-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4",
        "primary_name": "~{N}-cyclopropyl-3-oxidanylidene-~{N}-(thiophen-2-ylmethyl)-4~{H}-1,4-benzoxazine-7-carboxamide",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"Y6V\": \"c1cc(sc1)CN(C2CC2)C(=O)c3ccc4c(c3)OCC(=O)N4\"}",
        "source_metadata_sha256": "{\"Y6V\": \"2c8c70a80727afc9def58f2457cc063473f3c173b932c7f3f315681b62fe8a5e\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/Y6V"
        ]
      },
      "identity_note": "Complete deposited identity retained; no connectivity-only or name-only merge.",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 1,
      "name": "MRT866",
      "negative_count": 0,
      "observation_ids": [
        "PWWP:ASSAY:0003"
      ],
      "pdb_structure_count": 2,
      "preparation_count": 1,
      "preparation_ids": [
        "PREP:MRT866"
      ],
      "protein_ids": [
        "UP:O96028"
      ],
      "relationships": [],
      "relevant": true,
      "search_text": "mrt866 inchikey:xphopapmjbslfn-uhfffaoysa-n mrt866 ~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide nsd2 up:o96028:pwwp1 7lmt 7mdn {\"aliases\":[\"~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide\"],\"ccd_ids\":[\"y6v\"],\"ccd_names\":\"[\\\"~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:xphopapmjbslfn-uhfffaoysa-n\",\"connectivity_block\":\"xphopapmjbslfn\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"y6v\\\": 0}\",\"formulae\":\"[\\\"c17 h16 n2 o3 s\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"xphopapmjbslfn-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c1cc(sc1)cn(c2cc2)c(=o)c3ccc4c(c3)occ(=o)n4\",\"primary_name\":\"~{n}-cyclopropyl-3-oxidanylidene-~{n}-(thiophen-2-ylmethyl)-4~{h}-1,4-benzoxazine-7-carboxamide\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"y6v\\\": \\\"c1cc(sc1)cn(c2cc2)c(=o)c3ccc4c(c3)occ(=o)n4\\\"}\",\"source_metadata_sha256\":\"{\\\"y6v\\\": \\\"2c8c70a80727afc9def58f2457cc063473f3c173b932c7f3f315681b62fe8a5e\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/y6v\"]} pmid:34782742 2022 https://pmc.ncbi.nlm.nih.gov/articles/pmc9189931/",
      "source_urls": [
        "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
        "https://www.rcsb.org/ligand/Y6V"
      ],
      "verification_pending": false,
      "context_observations": [
        {
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          "abstract_reported_method": null,
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          "audit_decision": "retain_with_explicit_endpoint_and_identity",
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          "ccd_mapping_source": "Provenance/Literature/ligand_ccd_associations.json",
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          "chemical_identity_status": "exact_single_CCD_identity",
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          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_name": "MRT866",
          "conditions": "{}",
          "crystallographic_component_ids": null,
          "curation_version": "frozen-v1.2",
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          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
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          "evidence_class": "direct_binding_affinity",
          "evidence_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
          "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
          "gene": "NSD2",
          "interpretation": null,
          "is_measured": true,
          "is_negative": false,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "normalized_exact_uM": 0.34900000000000003,
          "numeric_transcription_status": "matches_primary_report",
          "numeric_value_inferred_from_structure": 0,
          "organism": "Homo sapiens",
          "pH": null,
          "pdb_id": "7MDN",
          "preparation_id": "PREP:MRT866",
          "protein_id": "UP:O96028",
          "publication_year": 2022,
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          "reference_id": "PMID:34782742",
          "remaining_uncertainty": "349 ± 19 nM verified in Results; MRT866-specific SPR construct/protocol, replicate definition and uncertainty statistic remain unresolved. Crystallography 211–350 is not assigned as the binding-assay construct.",
          "replicates": null,
          "role": "experimentally_studied_ligand",
          "source_component_url": null,
          "source_database": "Primary literature (frozen Atlas)",
          "source_id": "S02",
          "source_measurement_key": "aafd897bf3e781764d2d98e461b4ffe68e7f46cb4d921caafedd85f098c70d23",
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            "audit_decision": "retain_with_explicit_endpoint_and_identity",
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            "endpoint_label_status": null,
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            "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
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            "pH": null,
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            "replicates": null,
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            "source_id": "S02",
            "source_reported_uncertainty": "19",
            "source_reported_units": "nM",
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            "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
            "temperature_C": null,
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          "verification_level": "primary_full_text_sections_verified"
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      ],
      "context_structures": [
        {
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "401",
            "ccd_id": "Y6V",
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          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "role": "experimentally studied ligand",
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            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif",
            "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
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          "minimum_chain_distance_angstrom": 2.8696,
          "minimum_core_distance_angstrom": 2.8696,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "D",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
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          "chain_id": "PDB:7LMT:CHAIN:E:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"E\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"E\", \"minimum_distance_angstrom\": 3.9198, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"D\"]",
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            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "M",
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            "ligand_instance_id": "PDB:7LMT:LIG:M:Y6V:401:.",
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            "nearest_polypeptide_label_asym_id": "D",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7LMT",
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif",
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          "minimum_chain_distance_angstrom": 3.5829,
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "auth_seq_id": "401",
            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "N",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7LMT:LIG:N:Y6V:401:.",
            "nearest_polypeptide_distance_angstrom": 2.9677,
            "nearest_polypeptide_label_asym_id": "E",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7LMT",
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif",
            "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
            "unique_heavy_atom_names": 23
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          "ligand_instance_id": "PDB:7LMT:LIG:N:Y6V:401:.",
          "ligand_label_asym_id": "N",
          "minimum_Pfam_distance_angstrom": 2.9677,
          "minimum_chain_distance_angstrom": 2.9677,
          "minimum_core_distance_angstrom": 2.9718,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "E",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9491, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7185, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4802, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.28, \"uniprot_position\": 321}]",
          "chain_id": "PDB:7LMT:CHAIN:A:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9491, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
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            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 23,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "P",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7LMT:LIG:P:Y6V:401:.",
            "nearest_polypeptide_distance_angstrom": 2.9914,
            "nearest_polypeptide_label_asym_id": "F",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7LMT",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9491, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7185, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4802, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.28, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6493, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1855, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8363, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3212, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2628, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3345, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3573, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9918, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1131, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4566, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6054, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6794, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.7802, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9914, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7LMT/original.cif",
            "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
            "unique_heavy_atom_names": 23
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          "ligand_instance_id": "PDB:7LMT:LIG:P:Y6V:401:.",
          "ligand_label_asym_id": "P",
          "minimum_Pfam_distance_angstrom": 3.4802,
          "minimum_chain_distance_angstrom": 3.4802,
          "minimum_core_distance_angstrom": 3.9491,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0"
        },
        {
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          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
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          "chain_id": "PDB:7LMT:CHAIN:F:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6493, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1855, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.8363, \"uniprot_position\": 234}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5718, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3212, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2628, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3345, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3573, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9918, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1131, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4566, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6054, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6794, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
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          "multiple_contacting_mapped_chains": 1,
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
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          "cutoff_angstrom": 5.0,
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          "pdb_id": "7LMT",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
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          "role_category": "functional",
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          "chain_id": "PDB:7LMT:CHAIN:G:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "multiple_contacting_mapped_chains": 1,
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          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
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          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
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            "reference_model": "1",
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          "minimum_chain_distance_angstrom": 3.536,
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          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "G",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "401",
            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
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          "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 2.9387,
          "minimum_chain_distance_angstrom": 2.9387,
          "minimum_core_distance_angstrom": 2.9387,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8394, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9643, \"uniprot_position\": 316}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6832, \"uniprot_position\": 317}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5194, \"uniprot_position\": 320}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2514, \"uniprot_position\": 321}]",
          "chain_id": "PDB:7MDN:CHAIN:H:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8394, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "401",
            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 23,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "I",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
            "nearest_polypeptide_distance_angstrom": 2.9387,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7MDN",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.687, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2316, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8696, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5963, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3574, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3424, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2053, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3252, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9387, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1671, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3897, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.5671, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7595, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.7833, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 2.9546, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.8394, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9643, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6832, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5194, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.2514, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
            "unique_heavy_atom_names": 23
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          "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
          "ligand_label_asym_id": "I",
          "minimum_Pfam_distance_angstrom": 3.5194,
          "minimum_chain_distance_angstrom": 3.5194,
          "minimum_core_distance_angstrom": 3.8394,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "H",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
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          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
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          "chain_id": "PDB:7MDN:CHAIN:B:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "minimum_chain_distance_angstrom": 2.9349,
          "minimum_core_distance_angstrom": 2.9349,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
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          "chain_id": "PDB:7MDN:CHAIN:C:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"B\"]",
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            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"C\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
            "unique_heavy_atom_names": 23
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          "ligand_instance_id": "PDB:7MDN:LIG:K:Y6V:401:.",
          "ligand_label_asym_id": "K",
          "minimum_Pfam_distance_angstrom": 3.4641,
          "minimum_chain_distance_angstrom": 3.4641,
          "minimum_core_distance_angstrom": 3.9046,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "C",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
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          "multiple_contacting_mapped_chains": 1,
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          "protein_id": "UP:O96028",
          "protein_label_asym_id": "D",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
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          "chain_id": "PDB:7MDN:CHAIN:E:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:7MDN:LIG:M:Y6V:401:.",
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            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
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          "gene": "NSD2",
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          "instance": {
            "alternate_locations": "[]",
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            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
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            "covalent_connection_ids": "[]",
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            "ideal_CCD_SDF_is_source_pose": 0,
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            "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
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            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
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            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
            "unique_heavy_atom_names": 23
          },
          "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
          "ligand_label_asym_id": "N",
          "minimum_Pfam_distance_angstrom": 2.9125,
          "minimum_chain_distance_angstrom": 2.9125,
          "minimum_core_distance_angstrom": 2.9125,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "E",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
        },
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          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.951, \"uniprot_position\": 269}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9426, \"uniprot_position\": 316}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6993, \"uniprot_position\": 317}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4898, \"uniprot_position\": 320}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3198, \"uniprot_position\": 321}]",
          "chain_id": "PDB:7MDN:CHAIN:A:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.951, \"uniprot_position\": 269}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"F\"]",
            "auth_seq_id": "401",
            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"F\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 23,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "P",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7MDN:LIG:P:Y6V:401:.",
            "nearest_polypeptide_distance_angstrom": 2.9307,
            "nearest_polypeptide_label_asym_id": "F",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7MDN",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.951, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.9426, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6993, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4898, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3198, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6258, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1517, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.858, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6019, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3252, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3103, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2868, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3233, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1897, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4771, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6812, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8141, \"uniprot_position\": null}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9553, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
            "unique_heavy_atom_names": 23
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          "ligand_instance_id": "PDB:7MDN:LIG:P:Y6V:401:.",
          "ligand_label_asym_id": "P",
          "minimum_Pfam_distance_angstrom": 3.4898,
          "minimum_chain_distance_angstrom": 3.4898,
          "minimum_core_distance_angstrom": 3.951,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
        },
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          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6258, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1517, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.858, \"uniprot_position\": 234}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6019, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3252, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3103, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2868, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3233, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1897, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4771, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6812, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8141, \"uniprot_position\": 318}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9553, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"F\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6258, \"uniprot_position\": 230}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.1517, \"uniprot_position\": 233}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.858, \"uniprot_position\": 234}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6019, \"uniprot_position\": 236}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3252, \"uniprot_position\": 266}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3103, \"uniprot_position\": 267}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.2868, \"uniprot_position\": 268}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.3233, \"uniprot_position\": 269}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9307, \"uniprot_position\": 270}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 4.1897, \"uniprot_position\": 271}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.4771, \"uniprot_position\": 272}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.5972, \"uniprot_position\": 273}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.6812, \"uniprot_position\": 274}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"318\", \"component\": \"LEU\", \"entity_position\": 108, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 3.8141, \"uniprot_position\": 318}, {\"auth_asym_id\": \"F\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"F\", \"minimum_distance_angstrom\": 2.9553, \"uniprot_position\": 321}]",
          "chain_id": "PDB:7MDN:CHAIN:F:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "multiple_contacting_mapped_chains": 1,
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          "protein_id": "UP:O96028",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
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          "cutoff_angstrom": 5.0,
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          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
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            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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            "occupancy_min": 1.0,
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            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
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          "ligand_instance_id": "PDB:7MDN:LIG:Q:Y6V:401:.",
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          "minimum_Pfam_distance_angstrom": 3.4941,
          "minimum_chain_distance_angstrom": 3.4941,
          "minimum_core_distance_angstrom": 3.8794,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
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          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
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          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6907, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1901, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9109, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5967, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.34, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3456, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1836, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3309, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.8979, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.171, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4866, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5921, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6634, \"uniprot_position\": 274}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9632, \"uniprot_position\": 321}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "Y6V",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6907, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1901, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9109, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5967, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.34, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3456, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1836, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3309, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.8979, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.171, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4866, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5921, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6634, \"uniprot_position\": 274}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9632, \"uniprot_position\": 321}]",
          "chain_id": "PDB:7MDN:CHAIN:H:UP:O96028",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6907, \"uniprot_position\": 230}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1901, \"uniprot_position\": 233}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9109, \"uniprot_position\": 234}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5967, \"uniprot_position\": 236}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.34, \"uniprot_position\": 266}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3456, \"uniprot_position\": 267}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1836, \"uniprot_position\": 268}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3309, \"uniprot_position\": 269}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.8979, \"uniprot_position\": 270}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.171, \"uniprot_position\": 271}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4866, \"uniprot_position\": 272}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5921, \"uniprot_position\": 273}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6634, \"uniprot_position\": 274}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "NSD2",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"H\"]",
            "auth_seq_id": "401",
            "ccd_id": "Y6V",
            "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"G\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}, {\"description\": \"Histone-lysine N-methyltransferase NSD2\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"H\", \"sequence_length\": 140, \"uniprot_ids\": [\"O96028\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 23,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "R",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
            "nearest_polypeptide_distance_angstrom": 2.8979,
            "nearest_polypeptide_label_asym_id": "H",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "7MDN",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"G\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.9208, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"316\", \"component\": \"GLY\", \"entity_position\": 106, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.9226, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"317\", \"component\": \"LYS\", \"entity_position\": 107, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.7955, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"320\", \"component\": \"ALA\", \"entity_position\": 110, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 3.5515, \"uniprot_position\": null}, {\"auth_asym_id\": \"G\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"G\", \"minimum_distance_angstrom\": 4.3775, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"230\", \"component\": \"VAL\", \"entity_position\": 20, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6907, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"233\", \"component\": \"TYR\", \"entity_position\": 23, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1901, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"234\", \"component\": \"PRO\", \"entity_position\": 24, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.9109, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"236\", \"component\": \"TRP\", \"entity_position\": 26, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5967, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"266\", \"component\": \"PHE\", \"entity_position\": 56, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.34, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"267\", \"component\": \"PHE\", \"entity_position\": 57, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3456, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"268\", \"component\": \"GLY\", \"entity_position\": 58, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.1836, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"269\", \"component\": \"ASP\", \"entity_position\": 59, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.3309, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"270\", \"component\": \"ALA\", \"entity_position\": 60, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.8979, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"271\", \"component\": \"PRO\", \"entity_position\": 61, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 4.171, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"272\", \"component\": \"GLU\", \"entity_position\": 62, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.4866, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"273\", \"component\": \"ARG\", \"entity_position\": 63, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.5921, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"274\", \"component\": \"ALA\", \"entity_position\": 64, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 3.6634, \"uniprot_position\": null}, {\"auth_asym_id\": \"H\", \"auth_seq_id\": \"321\", \"component\": \"GLN\", \"entity_position\": 111, \"label_asym_id\": \"H\", \"minimum_distance_angstrom\": 2.9632, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/NSD2__HUMAN__O96028/Co-Crystals/7MDN/original.cif",
            "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
            "unique_heavy_atom_names": 23
          },
          "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
          "ligand_label_asym_id": "R",
          "minimum_Pfam_distance_angstrom": 2.8979,
          "minimum_chain_distance_angstrom": 2.8979,
          "minimum_core_distance_angstrom": 2.8979,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "protein_label_asym_id": "H",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "experimentally studied ligand",
          "role_category": "functional",
          "site_id": "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a"
        }
      ],
      "context_assay_count": 1,
      "context_measured_count": 1,
      "context_bound_count": 2,
      "context_pdb_count": 2,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "Measured + bound structure",
      "science": {
        "studied_compound": true,
        "measured_count": 1,
        "structural_research_ligand": true,
        "research_pdb_count": 2,
        "other_component": false,
        "component_site_count": 0,
        "verification_queue": false,
        "positive_direct_binder": true,
        "reported_probe": false,
        "reported_control": false,
        "cellular_activity": false,
        "protein_degradation": false,
        "bioactivity_only": false,
        "research_site_count": 32,
        "unknown_site_count": 0,
        "annotation_roles": [
          "studied",
          "structural"
        ]
      },
      "science_label": "Studied + deposited research ligand",
      "science_profile": {
        "annotation_roles": [
          "studied",
          "structural"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 1,
        "name": "MRT866",
        "other_pdb_component": false,
        "other_site_count": 0,
        "positive_direct_binder": true,
        "primary_view": "studied",
        "protein_degradation": false,
        "reported_control": false,
        "reported_probe": false,
        "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
        "source_observation_ids": [
          "PWWP:ASSAY:0003"
        ],
        "source_site_ids": [
          "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H"
        ],
        "structural_research_ligand": true,
        "structural_research_site_count": 32,
        "studied_compound": true,
        "total_observation_count": 1,
        "uncertain_site_count": 0,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
        "verification_queue": false,
        "verification_status": "source_scoped_mixed"
      },
      "science_site_roles": {
        "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:I:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "fb452dcc9ac176dd436a568f45cd7c3bec865b2422bfae1f7d54a214d9cff6c0",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:I:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B": {
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          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:K:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "ligand_instance_id": "PDB:7LMT:LIG:K:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
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          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:L:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D": {
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          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:L:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:M:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:M:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:N:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:N:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:P:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:P:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
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          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:Q:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:Q:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7LMT:LIG:R:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "ligand_instance_id": "PDB:7LMT:LIG:R:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7LMT",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7LMT:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7LMT",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H": {
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          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:I:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:I:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:K:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
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          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:K:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:K:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:L:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:C",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:L:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:L:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:M:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:D",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:M:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:M:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:B",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:N:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:N:Y6V:401:.:SITE:UP:O96028:PWWP1:E",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:P:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:A",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:P:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:P:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:Q:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:F",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:Q:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:Q:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:G",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H": {
          "ccd_url": "https://www.rcsb.org/ligand/Y6V",
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "411eea421108aa7f0e46d8c191904297040016aeabc0f48ef43d4a7503888c2a",
          "domain_id": "UP:O96028:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:7MDN:LIG:R:Y6V:401:.",
          "observed_other_component": false,
          "pdb_id": "7MDN",
          "protein_id": "UP:O96028",
          "role_code": "reported_studied_structural_ligand",
          "role_group": "research_ligand",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:7MDN:LIG:R:Y6V:401:.:SITE:UP:O96028:PWWP1:H",
          "source_role": "experimentally studied ligand",
          "source_url": "https://www.rcsb.org/structure/7MDN",
          "structural_research_ligand": true,
          "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": {
        "PWWP:ASSAY:0003": {
          "chemical_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:XPHOPAPMJBSLFN-UHFFFAOYSA-N",
          "domain_id": "UP:O96028:PWWP1",
          "endpoint": "Kd",
          "evidence_type": "direct_binding",
          "explicitly_negative": false,
          "measured": true,
          "method": "SPR",
          "molecular_entity_type": "small_molecule_preparation",
          "observation_id": "PWWP:ASSAY:0003",
          "operator": "=",
          "positive_direct_binder": true,
          "preparation_id": "PREP:MRT866",
          "protein_id": "UP:O96028",
          "remaining_uncertainty": "349 ± 19 nM verified in Results; MRT866-specific SPR construct/protocol, replicate definition and uncertainty statistic remain unresolved. Crystallography 211–350 is not assigned as the binding-assay construct.",
          "reported_cellular": false,
          "reported_control": false,
          "reported_probe": false,
          "rule": "Phase5 source-curated evidence_class, material, target_scope, source role; no inferred affinities",
          "source_id": "S02",
          "source_location": "Results: Discovery of a potent ligand targeting NSD2-PWWP1",
          "source_role": "experimentally_studied_ligand",
          "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC9189931/",
          "source_verification_scope": "Phase 3 primary full-text Methods, Results and figure legends through official NCBI BioC; actual publisher supplement; assay-specific scope retained",
          "studied_compound": true,
          "target_scope": "domain_specific",
          "target_variant": null,
          "units": "nM",
          "value": 349.0,
          "verification_status": "primary_full_text_sections_verified"
        }
      },
      "example": {
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        "abstract_reported_endpoint": null,
        "abstract_reported_method": null,
        "abstract_reported_units": null,
        "abstract_reported_value": null,
        "assay_construct_end": null,
        "assay_construct_start": null,
        "assay_record_id": "PWWP:ASSAY:0003",
        "assay_type": "SPR Kd",
        "assay_value_transferred_to_modeled_stereoisomers": 0,
        "audit_decision": "retain_with_explicit_endpoint_and_identity",
        "baseline_assay_record": 1,
        "buffer": null,
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