{"assembly_context":"asymmetric_unit_only","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":0,"ccd_id":"A1II2","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":13,"distance_angstrom":4.6698,"label_seq_id":14,"ligand_alt":null,"ligand_atom":"BR","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"13","protein_chain":"A","protein_component":"ALA","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":14,"distance_angstrom":5.6024,"label_seq_id":15,"ligand_alt":null,"ligand_atom":"BR","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"C","protein_auth_asym_id":"A","protein_auth_seq_id":"14","protein_chain":"A","protein_component":"LYS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":15,"distance_angstrom":3.9315,"label_seq_id":16,"ligand_alt":null,"ligand_atom":"BR","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"CG","protein_auth_asym_id":"A","protein_auth_seq_id":"15","protein_chain":"A","protein_component":"MET","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":18,"distance_angstrom":3.4711,"label_seq_id":19,"ligand_alt":null,"ligand_atom":"C5","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"OH","protein_auth_asym_id":"A","protein_auth_seq_id":"18","protein_chain":"A","protein_component":"TYR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":19,"distance_angstrom":4.5017,"label_seq_id":20,"ligand_alt":null,"ligand_atom":"BR","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"19","protein_chain":"A","protein_component":"PRO","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":21,"distance_angstrom":3.7176,"label_seq_id":22,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"CD2","protein_auth_asym_id":"A","protein_auth_seq_id":"21","protein_chain":"A","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":44,"distance_angstrom":3.4635,"label_seq_id":45,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"CD2","protein_auth_asym_id":"A","protein_auth_seq_id":"44","protein_chain":"A","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":45,"distance_angstrom":5.5816,"label_seq_id":46,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"45","protein_chain":"A","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":47,"distance_angstrom":2.6832,"label_seq_id":48,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"OG1","protein_auth_asym_id":"A","protein_auth_seq_id":"47","protein_chain":"A","protein_component":"THR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":48,"distance_angstrom":5.7428,"label_seq_id":49,"ligand_alt":null,"ligand_atom":"N2","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"N","protein_auth_asym_id":"A","protein_auth_seq_id":"48","protein_chain":"A","protein_component":"HIS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":49,"distance_angstrom":2.7961,"label_seq_id":50,"ligand_alt":null,"ligand_atom":"N1","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"OE1","protein_auth_asym_id":"A","protein_auth_seq_id":"49","protein_chain":"A","protein_component":"GLU","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":50,"distance_angstrom":4.2051,"label_seq_id":51,"ligand_alt":null,"ligand_atom":"C1","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"50","protein_chain":"A","protein_component":"THR","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"},{"annotation_core":true,"canonical_position":51,"distance_angstrom":3.9197,"label_seq_id":52,"ligand_alt":null,"ligand_atom":"C1","ligand_auth_asym_id":"A","ligand_component":"A1II2","ligand_label_asym_id":"D","ligand_occupancy":0.81,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"9G96","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"A","protein_auth_seq_id":"51","protein_chain":"A","protein_component":"ALA","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","region_type":"native_annotation_core","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a"}],"contacts_at_6A":13,"core_contacts_at_5A":10,"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:9G96:LIG:D:A1II2:102:.","ligand_label_asym_id":"D","minimum_core_distance_angstrom":2.6832,"model":1,"pdb_id":"9G96","protein_label_asym_id":"A","quality_id":"9G96:A:UP:Q7Z4V5:PWWP1","site_id":"PDB:9G96:LIG:D:A1II2:102:.:SITE:UP:Q7Z4V5:PWWP1:A","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"db835a0c10cdf7b71baef223f6c406631cc9ba018ebe804c89b249dba0089c0a","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms"]}
