{"assembly_context":"asymmetric_unit_multi_chain_possible","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":0,"ccd_id":"PYZ","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":30,"distance_angstrom":4.7016,"label_seq_id":31,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"B","ligand_component":"PYZ","ligand_label_asym_id":"G","ligand_occupancy":0.56,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9GRU","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"A","protein_auth_seq_id":"30","protein_chain":"A","protein_component":"ASP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9GRU:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9GRU:LIG:G:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c"},{"annotation_core":true,"canonical_position":31,"distance_angstrom":5.1103,"label_seq_id":32,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"B","ligand_component":"PYZ","ligand_label_asym_id":"G","ligand_occupancy":0.56,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9GRU","protein_alt":null,"protein_atom":"N","protein_auth_asym_id":"A","protein_auth_seq_id":"31","protein_chain":"A","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9GRU:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9GRU:LIG:G:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c"}],"contacts_at_6A":2,"core_contacts_at_5A":1,"interpretation":"Observed source classified geometry, representative consistent alt state; distances do not imply favorable interaction or validated electron density.","ligand_alternate_conformers":[],"ligand_instance_id":"PDB:9GRU:LIG:G:PYZ:101:.","ligand_label_asym_id":"G","minimum_core_distance_angstrom":4.7016,"model":1,"pdb_id":"9GRU","protein_label_asym_id":"A","quality_id":"9GRU:A:UP:Q7Z4V5:PWWP1","site_id":"PDB:9GRU:LIG:G:PYZ:101:.:SITE:UP:Q7Z4V5:PWWP1:A","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"481160fdc641812244d0c1df4f35c0e6580c28aaa30fd87bb2a2cd1b980c486c","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms","multi_chain_environment_source_annotation"]}