data_PRD_001022
# 
_pdbx_reference_molecule.prd_id                       PRD_001022 
_pdbx_reference_molecule.name                         "(2S,5S,8S,13S,16Z)-5-benzyl-2-(cyclohexylmethyl)-3,6,9,15,18-pentaoxo-8-{3-[(pyrazin-2-ylcarbonyl)amino]propyl}-1,4,7,10,14-pentaazacyclooctadec-16-ene-13-carboxylic acid" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Peptide-like 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C36 H46 N8 O8" 
_pdbx_reference_molecule.formula_weight               718.799 
_pdbx_reference_molecule.chem_comp_id                 ? 
_pdbx_reference_molecule.release_status               REL 
_pdbx_reference_molecule.replaces                     ? 
_pdbx_reference_molecule.replaced_by                  ? 
_pdbx_reference_molecule.compound_details             ? 
_pdbx_reference_molecule.description                  ? 
_pdbx_reference_molecule.representative_PDB_id_code   3U4W 
# 
_pdbx_reference_entity_list.prd_id          PRD_001022 
_pdbx_reference_entity_list.ref_entity_id   1 
_pdbx_reference_entity_list.component_id    1 
_pdbx_reference_entity_list.type            polymer 
_pdbx_reference_entity_list.details         ? 
# 
loop_
_pdbx_reference_entity_poly_link.prd_id 
_pdbx_reference_entity_poly_link.ref_entity_id 
_pdbx_reference_entity_poly_link.link_id 
_pdbx_reference_entity_poly_link.atom_id_1 
_pdbx_reference_entity_poly_link.comp_id_1 
_pdbx_reference_entity_poly_link.entity_seq_num_1 
_pdbx_reference_entity_poly_link.atom_id_2 
_pdbx_reference_entity_poly_link.comp_id_2 
_pdbx_reference_entity_poly_link.entity_seq_num_2 
_pdbx_reference_entity_poly_link.value_order 
_pdbx_reference_entity_poly_link.component_id 
_pdbx_reference_entity_poly_link.details 
_pdbx_reference_entity_poly_link.insert_code_1 
_pdbx_reference_entity_poly_link.insert_code_2 
PRD_001022 1 1 C  FUM 1 N  ALC 2 sing 1 ? ? ? 
PRD_001022 1 2 C6 FUM 1 N  DAB 5 sing 1 ? ? ? 
PRD_001022 1 3 C  ALC 2 N  PHE 3 sing 1 ? ? ? 
PRD_001022 1 4 C  PHE 3 N  08M 4 sing 1 ? ? ? 
PRD_001022 1 5 C  08M 4 ND DAB 5 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001022 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         ? 
_pdbx_reference_entity_poly.db_name         ? 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_001022 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        N 
# 
loop_
_pdbx_reference_entity_poly_seq.prd_id 
_pdbx_reference_entity_poly_seq.ref_entity_id 
_pdbx_reference_entity_poly_seq.num 
_pdbx_reference_entity_poly_seq.mon_id 
_pdbx_reference_entity_poly_seq.parent_mon_id 
_pdbx_reference_entity_poly_seq.hetero 
_pdbx_reference_entity_poly_seq.observed 
PRD_001022 1 1 FUM ? N Y 
PRD_001022 1 2 ALC ? N Y 
PRD_001022 1 3 PHE ? N Y 
PRD_001022 1 4 08M ? N Y 
PRD_001022 1 5 DAB ? N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001022 2012-09-11 RCSB "Create molecule"    
PRD_001022 2012-12-12 RCSB "Initial release"    
PRD_001022 2013-06-03 RCSB "Other modification" 
PRD_001022 2023-11-03 PDBE "Other modification" 
# 
