data_PRD_001223
# 
_pdbx_reference_molecule.prd_id                       PRD_001223 
_pdbx_reference_molecule.name                         "bicyclic peptide UK602 (bicyclic 1)" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic peptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Inhibitor 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C56 H96 N23 O16 S4" 
_pdbx_reference_molecule.formula_weight               1475.766 
_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   4OS2 
# 
_pdbx_reference_entity_list.prd_id          PRD_001223 
_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_001223 1 1  C   GLY 1  N  81S 2  sing 1 ? ? ? 
PRD_001223 1 2  SE  81S 2  SG CYS 7  sing 1 ? ? ? 
PRD_001223 1 3  SD2 81S 2  SG CYS 12 sing 1 ? ? ? 
PRD_001223 1 4  C   81S 2  N  LEU 3  sing 1 ? ? ? 
PRD_001223 1 5  C   LEU 3  N  GLY 4  sing 1 ? ? ? 
PRD_001223 1 6  C   GLY 4  N  ARG 5  sing 1 ? ? ? 
PRD_001223 1 7  C   ARG 5  N  GLY 6  sing 1 ? ? ? 
PRD_001223 1 8  C   GLY 6  N  CYS 7  sing 1 ? ? ? 
PRD_001223 1 9  C   CYS 7  N  GLU 8  sing 1 ? ? ? 
PRD_001223 1 10 C   GLU 8  N  ASN 9  sing 1 ? ? ? 
PRD_001223 1 11 C   ASN 9  N  HIS 10 sing 1 ? ? ? 
PRD_001223 1 12 C   HIS 10 N  ARG 11 sing 1 ? ? ? 
PRD_001223 1 13 C   ARG 11 N  CYS 12 sing 1 ? ? ? 
PRD_001223 1 14 C   CYS 12 N  LEU 13 sing 1 ? ? ? 
PRD_001223 1 15 C   LEU 13 N  NH2 14 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001223 
_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_001223 
_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_001223 1 1  GLY GLY N Y 
PRD_001223 1 2  81S ?   N Y 
PRD_001223 1 3  LEU LEU N Y 
PRD_001223 1 4  GLY GLY N Y 
PRD_001223 1 5  ARG ARG N Y 
PRD_001223 1 6  GLY GLY N Y 
PRD_001223 1 7  CYS CYS N Y 
PRD_001223 1 8  GLU GLU N Y 
PRD_001223 1 9  ASN ASN N Y 
PRD_001223 1 10 HIS HIS N Y 
PRD_001223 1 11 ARG ARG N Y 
PRD_001223 1 12 CYS CYS N Y 
PRD_001223 1 13 LEU LEU N Y 
PRD_001223 1 14 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001223 2014-02-19 RCSB "Create molecule" 
PRD_001223 2014-09-24 RCSB "Initial release" 
# 
