{
  "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:MTHSVFCYNBDYFN-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": [
        "DI(HYDROXYETHYL)ETHER"
      ],
      "assay_count": 0,
      "associated_pdb_ids": [
        "3PMI",
        "4N4H",
        "4N4I"
      ],
      "bound_structure_count": 1,
      "category": "Structure-supported identity",
      "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "classifications": [],
      "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
      "curation_version": "phase5-1.0.0",
      "depiction": {
        "calculated_HBA": 3,
        "calculated_HBD": 2,
        "calculated_TPSA": 49.69,
        "calculated_formula": "C4H10O3",
        "calculated_logP": -1.0124,
        "calculated_molecular_weight": 106.121,
        "computed_inchikey": "MTHSVFCYNBDYFN-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
        "files": {
          "dark": "60ef61cf67f22e094ba8-dark.svg",
          "light": "60ef61cf67f22e094ba8-light.svg"
        },
        "rdkit_version": "2025.09.3",
        "status": "verified_smiles_full_inchikey_match"
      },
      "development_status": "Not independently curated",
      "domain_ids": [
        "UP:Q2TAK8:PWWP1"
      ],
      "entity_kind": "chemical_identity",
      "genes": [
        "PWWP3A"
      ],
      "has_bioactivity_only": false,
      "has_source_conflict": false,
      "identity": {
        "aliases": [
          "DI(HYDROXYETHYL)ETHER"
        ],
        "ccd_ids": [
          "PEG"
        ],
        "ccd_names": "[\"DI(HYDROXYETHYL)ETHER\"]",
        "ccd_types": "[\"non-polymer\"]",
        "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
        "connectivity_block": "MTHSVFCYNBDYFN",
        "curated_source_sha256": null,
        "curation_version": "frozen-v1.2",
        "external_identifiers": {},
        "formal_charge_by_ccd": "{\"PEG\": 0}",
        "formulae": "[\"C4 H10 O3\"]",
        "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
        "identity_status": "complete_deposited_InChIKey",
        "inchikey": "MTHSVFCYNBDYFN-UHFFFAOYSA-N",
        "inventory_origin": "v1_CCD_inventory",
        "isomeric_smiles": "C(COCCO)O",
        "primary_name": "DI(HYDROXYETHYL)ETHER",
        "retrieval_date": "2026-10-24",
        "smiles_stereo_by_ccd": "{\"PEG\": \"C(COCCO)O\"}",
        "source_metadata_sha256": "{\"PEG\": \"2350df132e9e1b1590cea50b647128e20bdd9169cfd28444734906b6f75073a5\"}",
        "source_urls": [
          "https://www.rcsb.org/ligand/PEG"
        ]
      },
      "identity_note": "complete_deposited_InChIKey",
      "identity_resolved": true,
      "is_control": false,
      "is_probe": false,
      "measured_observation_count": 0,
      "name": "DI(HYDROXYETHYL)ETHER",
      "negative_count": 0,
      "observation_ids": [],
      "pdb_structure_count": 3,
      "preparation_count": 0,
      "preparation_ids": [],
      "protein_ids": [
        "UP:Q2TAK8"
      ],
      "relationships": [],
      "relevant": false,
      "search_text": "di(hydroxyethyl)ether inchikey:mthsvfcynbdyfn-uhfffaoysa-n di(hydroxyethyl)ether pwwp3a up:q2tak8:pwwp1 3pmi 4n4h 4n4i {\"aliases\":[\"di(hydroxyethyl)ether\"],\"ccd_ids\":[\"peg\"],\"ccd_names\":\"[\\\"di(hydroxyethyl)ether\\\"]\",\"ccd_types\":\"[\\\"non-polymer\\\"]\",\"chemical_id\":\"inchikey:mthsvfcynbdyfn-uhfffaoysa-n\",\"connectivity_block\":\"mthsvfcynbdyfn\",\"curated_source_sha256\":null,\"curation_version\":\"frozen-v1.2\",\"external_identifiers\":{},\"formal_charge_by_ccd\":\"{\\\"peg\\\": 0}\",\"formulae\":\"[\\\"c4 h10 o3\\\"]\",\"geometry_note\":\"ccd ideal sdf is a reference chemical geometry, not a deposited bound pose.\",\"identity_status\":\"complete_deposited_inchikey\",\"inchikey\":\"mthsvfcynbdyfn-uhfffaoysa-n\",\"inventory_origin\":\"v1_ccd_inventory\",\"isomeric_smiles\":\"c(cocco)o\",\"primary_name\":\"di(hydroxyethyl)ether\",\"retrieval_date\":\"2026-10-24\",\"smiles_stereo_by_ccd\":\"{\\\"peg\\\": \\\"c(cocco)o\\\"}\",\"source_metadata_sha256\":\"{\\\"peg\\\": \\\"2350df132e9e1b1590cea50b647128e20bdd9169cfd28444734906b6f75073a5\\\"}\",\"source_urls\":[\"https://www.rcsb.org/ligand/peg\"]}",
      "source_urls": [
        "https://www.rcsb.org/ligand/PEG"
      ],
      "verification_pending": false,
      "context_observations": [],
      "context_structures": [
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8278, \"uniprot_position\": 419}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4122, \"uniprot_position\": 422}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 425}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2485, \"uniprot_position\": 443}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5916, \"uniprot_position\": 445}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6142, \"uniprot_position\": 481}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "PEG",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8278, \"uniprot_position\": 419}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4122, \"uniprot_position\": 422}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 425}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2485, \"uniprot_position\": 443}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5916, \"uniprot_position\": 445}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6142, \"uniprot_position\": 481}]",
          "chain_id": "PDB:3PMI:CHAIN:A:UP:Q2TAK8",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8278, \"uniprot_position\": 419}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4122, \"uniprot_position\": 422}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": 425}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2485, \"uniprot_position\": 443}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5916, \"uniprot_position\": 445}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q2TAK8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "PWWP3A",
          "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": "10",
            "ccd_id": "PEG",
            "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}, {\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 7,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "F",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
            "nearest_polypeptide_distance_angstrom": 3.6142,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3PMI",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8278, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4122, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2485, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5916, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6142, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"453\", \"component\": \"MSE\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7578, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/PWWP3A__HUMAN__Q2TAK8/Unclassified_Review/3PMI/original.cif",
            "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea",
            "unique_heavy_atom_names": 7
          },
          "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 3.6142,
          "minimum_chain_distance_angstrom": 3.6142,
          "minimum_core_distance_angstrom": 4.2485,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3PMI",
          "protein_id": "UP:Q2TAK8",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "crystallization additive",
          "role_category": "incidental",
          "site_id": "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:A",
          "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea"
        },
        {
          "Pfam_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"453\", \"component\": \"MSE\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7578, \"uniprot_position\": 452}]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "PEG",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"453\", \"component\": \"MSE\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7578, \"uniprot_position\": 452}]",
          "chain_id": "PDB:3PMI:CHAIN:B:UP:Q2TAK8",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "contact_distance_rank": 2,
          "core_contacts_5A": "[{\"auth_asym_id\": \"B\", \"auth_seq_id\": \"453\", \"component\": \"MSE\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7578, \"uniprot_position\": 452}]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q2TAK8:PWWP1",
          "exact_pwwp_contact": true,
          "gene": "PWWP3A",
          "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": "10",
            "ccd_id": "PEG",
            "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}, {\"description\": \"PWWP domain-containing protein MUM1\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"B\", \"sequence_length\": 134, \"uniprot_ids\": [\"Q2TAK8\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 7,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "F",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
            "nearest_polypeptide_distance_angstrom": 3.6142,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "3PMI",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"420\", \"component\": \"HIS\", \"entity_position\": 15, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8278, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"423\", \"component\": \"TYR\", \"entity_position\": 18, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.4122, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"426\", \"component\": \"TRP\", \"entity_position\": 21, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.367, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"444\", \"component\": \"TYR\", \"entity_position\": 39, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2485, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"446\", \"component\": \"GLU\", \"entity_position\": 41, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5916, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"482\", \"component\": \"PHE\", \"entity_position\": 77, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6142, \"uniprot_position\": null}, {\"auth_asym_id\": \"B\", \"auth_seq_id\": \"453\", \"component\": \"MSE\", \"entity_position\": 48, \"label_asym_id\": \"B\", \"minimum_distance_angstrom\": 3.7578, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/PWWP3A__HUMAN__Q2TAK8/Unclassified_Review/3PMI/original.cif",
            "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea",
            "unique_heavy_atom_names": 7
          },
          "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
          "ligand_label_asym_id": "F",
          "minimum_Pfam_distance_angstrom": 3.7578,
          "minimum_chain_distance_angstrom": 3.7578,
          "minimum_core_distance_angstrom": 3.7578,
          "multiple_contacting_mapped_chains": 1,
          "pdb_id": "3PMI",
          "protein_id": "UP:Q2TAK8",
          "protein_label_asym_id": "B",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "crystallization additive",
          "role_category": "incidental",
          "site_id": "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:B",
          "source_coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea"
        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "PEG",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"166\", \"component\": \"VAL\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3284, \"uniprot_position\": 166}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"MET\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0114, \"uniprot_position\": 169}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"201\", \"component\": \"ILE\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2785, \"uniprot_position\": 201}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"216\", \"component\": \"PHE\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8437, \"uniprot_position\": 216}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"ALA\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"LEU\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"LEU\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1558, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"241\", \"component\": \"ALA\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.869, \"uniprot_position\": 241}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"244\", \"component\": \"LEU\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0965, \"uniprot_position\": 244}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"TYR\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": 245}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"248\", \"component\": \"THR\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4917, \"uniprot_position\": 248}]",
          "chain_id": "PDB:4N4H:CHAIN:A:UP:Q8R5C8",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "Zmynd11",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "403",
            "ccd_id": "PEG",
            "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 7,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4N4H:LIG:E:PEG:403:.",
            "nearest_polypeptide_distance_angstrom": 3.2569,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4H",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"166\", \"component\": \"VAL\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.3284, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"MET\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0114, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"201\", \"component\": \"ILE\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2785, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"216\", \"component\": \"PHE\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8437, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"ALA\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.2569, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"LEU\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0527, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"LEU\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.1558, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"241\", \"component\": \"ALA\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.869, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"244\", \"component\": \"LEU\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0965, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"TYR\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8456, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"248\", \"component\": \"THR\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4917, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4H/original.cif",
            "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
            "unique_heavy_atom_names": 7
          },
          "ligand_instance_id": "PDB:4N4H:LIG:E:PEG:403:.",
          "ligand_label_asym_id": "E",
          "minimum_Pfam_distance_angstrom": 19.0145,
          "minimum_chain_distance_angstrom": 3.2569,
          "minimum_core_distance_angstrom": 19.0145,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "crystallization additive",
          "role_category": "incidental",
          "site_id": "PDB:4N4H:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae"
        },
        {
          "Pfam_contacts_5A": "[]",
          "biochemical_activity_inferred": 0,
          "ccd_id": "PEG",
          "chain_contacts_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"166\", \"component\": \"VAL\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5261, \"uniprot_position\": 166}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"MET\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0411, \"uniprot_position\": 169}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"201\", \"component\": \"ILE\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2255, \"uniprot_position\": 201}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"216\", \"component\": \"PHE\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.628, \"uniprot_position\": 216}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"ALA\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3261, \"uniprot_position\": 220}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"LEU\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9281, \"uniprot_position\": 223}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"LEU\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8078, \"uniprot_position\": 224}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"227\", \"component\": \"THR\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8823, \"uniprot_position\": 227}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"241\", \"component\": \"ALA\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6698, \"uniprot_position\": 241}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"244\", \"component\": \"LEU\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9749, \"uniprot_position\": 244}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"TYR\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6891, \"uniprot_position\": 245}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"248\", \"component\": \"THR\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4086, \"uniprot_position\": 248}]",
          "chain_id": "PDB:4N4I:CHAIN:A:UP:Q8R5C8",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "contact_distance_rank": 1,
          "core_contacts_5A": "[]",
          "covalent_connection_ids": "[]",
          "cutoff_angstrom": 5.0,
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": false,
          "gene": "Zmynd11",
          "geometry_scope": "first deposited model; asymmetric unit; heavy atoms with occupancy >0; alternate locations retained; no symmetry expansion",
          "instance": {
            "alternate_locations": "[]",
            "auth_asym_ids": "[\"A\"]",
            "auth_seq_id": "403",
            "ccd_id": "PEG",
            "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
            "component_context": "nonpolymer_component",
            "contacted_polymer_partners": "[{\"description\": \"Zinc finger MYND domain-containing protein 11\", \"entity_id\": \"1\", \"is_PWWP_family_protein\": true, \"label_asym_id\": \"A\", \"sequence_length\": 252, \"uniprot_ids\": [\"Q8R5C8\"]}]",
            "covalent_connection_ids": "[]",
            "heavy_atom_row_count": 7,
            "ideal_CCD_SDF_is_source_pose": 0,
            "label_asym_id": "E",
            "label_seq_id": null,
            "ligand_instance_id": "PDB:4N4I:LIG:E:PEG:403:.",
            "nearest_polypeptide_distance_angstrom": 3.3261,
            "nearest_polypeptide_label_asym_id": "A",
            "occupancy_max": 1.0,
            "occupancy_min": 1.0,
            "pdb_id": "4N4I",
            "polypeptide_contact_residues_5A": "[{\"auth_asym_id\": \"A\", \"auth_seq_id\": \"166\", \"component\": \"VAL\", \"entity_position\": 47, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.5261, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"169\", \"component\": \"MET\", \"entity_position\": 50, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.0411, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"201\", \"component\": \"ILE\", \"entity_position\": 82, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.2255, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"216\", \"component\": \"PHE\", \"entity_position\": 97, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.628, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"220\", \"component\": \"ALA\", \"entity_position\": 101, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.3261, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"223\", \"component\": \"LEU\", \"entity_position\": 104, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9281, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"224\", \"component\": \"LEU\", \"entity_position\": 105, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.8078, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"227\", \"component\": \"THR\", \"entity_position\": 108, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 4.8823, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"241\", \"component\": \"ALA\", \"entity_position\": 122, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6698, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"244\", \"component\": \"LEU\", \"entity_position\": 125, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.9749, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"245\", \"component\": \"TYR\", \"entity_position\": 126, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.6891, \"uniprot_position\": null}, {\"auth_asym_id\": \"A\", \"auth_seq_id\": \"248\", \"component\": \"THR\", \"entity_position\": 129, \"label_asym_id\": \"A\", \"minimum_distance_angstrom\": 3.4086, \"uniprot_position\": null}]",
            "pose_kind": "deposited_source_coordinates",
            "reference_model": "1",
            "source_coordinate_file": "Structures/Zmynd11__TAX10090__Q8R5C8/Complexes/4N4I/original.cif",
            "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
            "unique_heavy_atom_names": 7
          },
          "ligand_instance_id": "PDB:4N4I:LIG:E:PEG:403:.",
          "ligand_label_asym_id": "E",
          "minimum_Pfam_distance_angstrom": 19.224,
          "minimum_chain_distance_angstrom": 3.3261,
          "minimum_core_distance_angstrom": 19.224,
          "multiple_contacting_mapped_chains": 0,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "protein_label_asym_id": "A",
          "rank_interpretation": "Distance rank among mapped chains only; crystal packing and biological site assignment require separate review.",
          "role": "crystallization additive",
          "role_category": "incidental",
          "site_id": "PDB:4N4I:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c"
        }
      ],
      "context_assay_count": 0,
      "context_measured_count": 0,
      "context_bound_count": 1,
      "context_pdb_count": 3,
      "context_negative_count": 0,
      "context_is_probe": false,
      "context_bioactivity_only": false,
      "context_kind": "PWWP-proximal structure",
      "science": {
        "studied_compound": false,
        "measured_count": 0,
        "structural_research_ligand": false,
        "research_pdb_count": 0,
        "other_component": true,
        "component_site_count": 4,
        "verification_queue": false,
        "positive_direct_binder": false,
        "reported_probe": false,
        "reported_control": false,
        "cellular_activity": false,
        "protein_degradation": false,
        "bioactivity_only": false,
        "research_site_count": 0,
        "unknown_site_count": 0,
        "annotation_roles": [
          "components"
        ]
      },
      "science_label": "Other PDB component · not a studied ligand",
      "science_profile": {
        "annotation_roles": [
          "components"
        ],
        "cellular_activity": false,
        "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
        "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
        "entity_kind": "chemical_identity",
        "identity_resolved": true,
        "measured_observation_count": 0,
        "name": "DI(HYDROXYETHYL)ETHER",
        "other_pdb_component": true,
        "other_site_count": 4,
        "positive_direct_binder": false,
        "primary_view": "components",
        "protein_degradation": false,
        "reported_control": false,
        "reported_probe": false,
        "rule": "Independent source observations + per-site coordinate role, not universal pharmacology",
        "source_observation_ids": [],
        "source_site_ids": [
          "PDB:4N4H:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:4N4I:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:A",
          "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:B"
        ],
        "structural_research_ligand": false,
        "structural_research_site_count": 0,
        "studied_compound": false,
        "total_observation_count": 0,
        "uncertain_site_count": 0,
        "uncertainty": "Classification is evidence- and experiment-scoped; missing assays do not prove nonbinding.",
        "verification_queue": false,
        "verification_status": "source_scoped_mixed"
      },
      "science_site_roles": {
        "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/PEG",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea",
          "domain_id": "UP:Q2TAK8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
          "observed_other_component": true,
          "pdb_id": "3PMI",
          "protein_id": "UP:Q2TAK8",
          "role_code": "crystallization_additive",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:A",
          "source_role": "crystallization additive",
          "source_url": "https://www.rcsb.org/structure/3PMI",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:B": {
          "ccd_url": "https://www.rcsb.org/ligand/PEG",
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          "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "native_annotation_core_contact",
          "coordinate_sha256": "52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea",
          "domain_id": "UP:Q2TAK8:PWWP1",
          "exact_pwwp_contact": true,
          "ligand_instance_id": "PDB:3PMI:LIG:F:PEG:10:.",
          "observed_other_component": true,
          "pdb_id": "3PMI",
          "protein_id": "UP:Q2TAK8",
          "role_code": "crystallization_additive",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:3PMI:LIG:F:PEG:10:.:SITE:UP:Q2TAK8:PWWP1:B",
          "source_role": "crystallization additive",
          "source_url": "https://www.rcsb.org/structure/3PMI",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:4N4H:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/PEG",
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          "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "846f4365d782c5d008d80fa1cf4e8093fac1a121993ce6c410e2b02c169141ae",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:4N4H:LIG:E:PEG:403:.",
          "observed_other_component": true,
          "pdb_id": "4N4H",
          "protein_id": "UP:Q8R5C8",
          "role_code": "crystallization_additive",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:4N4H:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": "crystallization additive",
          "source_url": "https://www.rcsb.org/structure/4N4H",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        },
        "PDB:4N4I:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A": {
          "ccd_url": "https://www.rcsb.org/ligand/PEG",
          "chemical_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "compound_id": "INCHIKEY:MTHSVFCYNBDYFN-UHFFFAOYSA-N",
          "contact_class": "noncore_contact_in_multidomain_chain",
          "coordinate_sha256": "22a5534c64dcd73b49a3c3f2f9e41896c5689ca25449ef8a86993159e5db235c",
          "domain_id": "UP:Q8R5C8:PWWP1",
          "exact_pwwp_contact": false,
          "ligand_instance_id": "PDB:4N4I:LIG:E:PEG:403:.",
          "observed_other_component": true,
          "pdb_id": "4N4I",
          "protein_id": "UP:Q8R5C8",
          "role_code": "crystallization_additive",
          "role_group": "other_component",
          "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope",
          "site_id": "PDB:4N4I:LIG:E:PEG:403:.:SITE:UP:Q8R5C8:PWWP1:A",
          "source_role": "crystallization additive",
          "source_url": "https://www.rcsb.org/structure/4N4I",
          "structural_research_ligand": false,
          "uncertainty": "Role is source-annotated; deposited proximity alone does not establish solution binding or biological activity.",
          "verification_status": "phase5_derived_deposited_geometry"
        }
      },
      "science_assay_roles": {},
      "example": null,
      "matched_observations": [],
      "matched_assay_count": 0
    }
  ]
}