{"assembly_context":"asymmetric_unit_only","assessment_status":"calculated_observed_ligand_environment","broader_pfam_contacts_at_5A":1,"ccd_id":"95E","contacting_residues_missing_sidechain_atoms":0,"contacts":[{"annotation_core":true,"canonical_position":231,"distance_angstrom":5.5372,"label_seq_id":26,"ligand_alt":null,"ligand_atom":"C14","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"231","protein_chain":"A","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":233,"distance_angstrom":3.6121,"label_seq_id":28,"ligand_alt":null,"ligand_atom":"C13","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CD1","protein_auth_asym_id":"A","protein_auth_seq_id":"233","protein_chain":"A","protein_component":"ILE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":236,"distance_angstrom":3.3931,"label_seq_id":31,"ligand_alt":null,"ligand_atom":"C8","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CE1","protein_auth_asym_id":"A","protein_auth_seq_id":"236","protein_chain":"A","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":237,"distance_angstrom":5.3454,"label_seq_id":32,"ligand_alt":null,"ligand_atom":"C14","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"237","protein_chain":"A","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":239,"distance_angstrom":3.5083,"label_seq_id":34,"ligand_alt":null,"ligand_atom":"C7","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CZ2","protein_auth_asym_id":"A","protein_auth_seq_id":"239","protein_chain":"A","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":263,"distance_angstrom":3.3991,"label_seq_id":58,"ligand_alt":null,"ligand_atom":"C11","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CD1","protein_auth_asym_id":"A","protein_auth_seq_id":"263","protein_chain":"A","protein_component":"TRP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":264,"distance_angstrom":5.7037,"label_seq_id":59,"ligand_alt":null,"ligand_atom":"N9","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"O","protein_auth_asym_id":"A","protein_auth_seq_id":"264","protein_chain":"A","protein_component":"PHE","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":265,"distance_angstrom":5.2462,"label_seq_id":60,"ligand_alt":null,"ligand_atom":"O1","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"C","protein_auth_asym_id":"A","protein_auth_seq_id":"265","protein_chain":"A","protein_component":"GLY","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":266,"distance_angstrom":2.6282,"label_seq_id":61,"ligand_alt":null,"ligand_atom":"O12","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"OD2","protein_auth_asym_id":"A","protein_auth_seq_id":"266","protein_chain":"A","protein_component":"ASP","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":268,"distance_angstrom":3.7462,"label_seq_id":63,"ligand_alt":null,"ligand_atom":"O12","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CD","protein_auth_asym_id":"A","protein_auth_seq_id":"268","protein_chain":"A","protein_component":"LYS","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":true,"canonical_position":270,"distance_angstrom":5.4288,"label_seq_id":65,"ligand_alt":null,"ligand_atom":"C11","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":[],"missing_sidechain_atoms_union":[],"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"OG","protein_auth_asym_id":"A","protein_auth_seq_id":"270","protein_chain":"A","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"native_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"},{"annotation_core":false,"canonical_position":297,"distance_angstrom":3.845,"label_seq_id":92,"ligand_alt":null,"ligand_atom":"C2","ligand_auth_asym_id":"A","ligand_component":"95E","ligand_label_asym_id":"C","ligand_occupancy":0.91,"missing_sidechain_atoms_conformer_consistent":null,"missing_sidechain_atoms_union":null,"model":1,"model_number":1,"pdb_id":"5NR3","protein_alt":null,"protein_atom":"CB","protein_auth_asym_id":"A","protein_auth_seq_id":"297","protein_chain":"A","protein_component":"SER","protein_insertion_code":null,"protein_occupancy":1.0,"quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","region_type":"broader_pfam_outside_annotation_core","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab"}],"contacts_at_6A":12,"core_contacts_at_5A":6,"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:5NR3:LIG:C:95E:401:.","ligand_label_asym_id":"C","minimum_core_distance_angstrom":2.6282,"model":1,"pdb_id":"5NR3","protein_label_asym_id":"A","quality_id":"5NR3:A:UP:Q9UBC3:PWWP1","site_id":"PDB:5NR3:LIG:C:95E:401:.:SITE:UP:Q9UBC3:PWWP1:A","source_component_is_unmodified_parent":null,"source_coordinate_sha256":"44a1bc37a1ec9502897975301189695e250abc526861869774ca6a1d0adc0dab","source_role":"research_ligand","warnings":["partial_occupancy_contact_atoms"]}
