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"PDB:5NRV:LIG:I:SO4:407:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:5NRV:LIG:G:SO4:405:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:3QKJ:LIG:N:SO4:2:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:5NRV:LIG:M:SO4:404:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:3QKJ:LIG:F:SO4:3:.:SITE:UP:Q9UBC3:PWWP1:D", "PDB:5NRV:LIG:H:SO4:406:.:SITE:UP:Q9UBC3:PWWP1:A", "PDB:5Y1Z:LIG:O:SO4:504:.:SITE:UP:Q9ULU4:PWWP1:D", "PDB:5Y1Z:LIG:P:SO4:505:.:SITE:UP:Q9ULU4:PWWP1:D", "PDB:2X4Y:LIG:V:SO4:2206:.:SITE:UP:P55201:PWWP1:E", "PDB:2X4Y:LIG:W:SO4:2204:.:SITE:UP:P55201:PWWP1:G", "PDB:2X4Y:LIG:Q:SO4:2206:.:SITE:UP:P55201:PWWP1:O" ], "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:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B": { "ccd_url": "https://www.rcsb.org/ligand/SO4", "chemical_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "compound_id": "INCHIKEY:QAOWNCQODCNURD-UHFFFAOYSA-L", "contact_class": "native_annotation_core_contact", "coordinate_sha256": "a8254ced10f69b3b39f750fa8cd9287339657ffd15b2b87702acc775b16fc7ed", "domain_id": "UP:Q9Y6K1:PWWP1", "exact_pwwp_contact": true, "ligand_instance_id": "PDB:3LLR:LIG:H:SO4:155:.", "observed_other_component": true, "pdb_id": "3LLR", "protein_id": "UP:Q9Y6K1", "role_code": "ion_or_salt", "role_group": "other_component", "rule": "Phase5 exact deposited site role, measured heavy-atom contacts and native-domain scope", "site_id": "PDB:3LLR:LIG:H:SO4:155:.:SITE:UP:Q9Y6K1:PWWP1:B", "source_role": "ion/additive", "source_url": "https://www.rcsb.org/structure/3LLR", "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 } ] }