data_PRD_000926
# 
_pdbx_reference_molecule.prd_id                       PRD_000926 
_pdbx_reference_molecule.name                         "bicyclic peptide UK18-D-Ser" 
_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                      "C78 H124 N27 O25 S3" 
_pdbx_reference_molecule.formula_weight               1936.180 
_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   4JK5 
# 
loop_
_pdbx_reference_entity_list.prd_id 
_pdbx_reference_entity_list.ref_entity_id 
_pdbx_reference_entity_list.component_id 
_pdbx_reference_entity_list.type 
_pdbx_reference_entity_list.details 
PRD_000926 1 1 polymer     ?   
PRD_000926 2 2 non-polymer ZBR 
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000926 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "1,3,5-tris(bromomethyl)benzene" 
_pdbx_reference_entity_nonpoly.chem_comp_id    ZBR 
_pdbx_reference_entity_nonpoly.details         ? 
# 
loop_
_pdbx_reference_entity_link.prd_id 
_pdbx_reference_entity_link.link_id 
_pdbx_reference_entity_link.link_class 
_pdbx_reference_entity_link.ref_entity_id_1 
_pdbx_reference_entity_link.entity_seq_num_1 
_pdbx_reference_entity_link.comp_id_1 
_pdbx_reference_entity_link.atom_id_1 
_pdbx_reference_entity_link.ref_entity_id_2 
_pdbx_reference_entity_link.entity_seq_num_2 
_pdbx_reference_entity_link.comp_id_2 
_pdbx_reference_entity_link.atom_id_2 
_pdbx_reference_entity_link.value_order 
_pdbx_reference_entity_link.component_1 
_pdbx_reference_entity_link.component_2 
_pdbx_reference_entity_link.details 
_pdbx_reference_entity_link.nonpoly_res_num_1 
_pdbx_reference_entity_link.nonpoly_res_num_2 
PRD_000926 1 PN 1 2  CYS SG 2 ? ZBR C8 sing 1 2 ? ? ? 
PRD_000926 2 PN 1 9  CYS SG 2 ? ZBR C7 sing 1 2 ? ? ? 
PRD_000926 3 PN 1 16 CYS SG 2 ? ZBR C9 sing 1 2 ? ? ? 
# 
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_000926 1 1  C ALA 1  N CYS 2  sing 1 ? ? ? 
PRD_000926 1 2  C CYS 2  N SER 3  sing 1 ? ? ? 
PRD_000926 1 3  C SER 3  N ARG 4  sing 1 ? ? ? 
PRD_000926 1 4  C ARG 4  N TYR 5  sing 1 ? ? ? 
PRD_000926 1 5  C TYR 5  N GLU 6  sing 1 ? ? ? 
PRD_000926 1 6  C GLU 6  N VAL 7  sing 1 ? ? ? 
PRD_000926 1 7  C VAL 7  N ASP 8  sing 1 ? ? ? 
PRD_000926 1 8  C ASP 8  N CYS 9  sing 1 ? ? ? 
PRD_000926 1 9  C CYS 9  N ARG 10 sing 1 ? ? ? 
PRD_000926 1 10 C ARG 10 N GLY 11 sing 1 ? ? ? 
PRD_000926 1 11 C GLY 11 N ARG 12 sing 1 ? ? ? 
PRD_000926 1 12 C ARG 12 N DSN 13 sing 1 ? ? ? 
PRD_000926 1 13 C DSN 13 N SER 14 sing 1 ? ? ? 
PRD_000926 1 14 C SER 14 N ALA 15 sing 1 ? ? ? 
PRD_000926 1 15 C ALA 15 N CYS 16 sing 1 ? ? ? 
PRD_000926 1 16 C CYS 16 N GLY 17 sing 1 ? ? ? 
PRD_000926 1 17 C GLY 17 N NH2 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000926 
_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_000926 
_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_000926 1 1  ALA ALA N Y 
PRD_000926 1 2  CYS CYS N Y 
PRD_000926 1 3  SER SER N Y 
PRD_000926 1 4  ARG ARG N Y 
PRD_000926 1 5  TYR TYR N Y 
PRD_000926 1 6  GLU GLU N Y 
PRD_000926 1 7  VAL VAL N Y 
PRD_000926 1 8  ASP ASP N Y 
PRD_000926 1 9  CYS CYS N Y 
PRD_000926 1 10 ARG ARG N Y 
PRD_000926 1 11 GLY GLY N Y 
PRD_000926 1 12 ARG ARG N Y 
PRD_000926 1 13 DSN ?   N Y 
PRD_000926 1 14 SER SER N Y 
PRD_000926 1 15 ALA ALA N Y 
PRD_000926 1 16 CYS CYS N Y 
PRD_000926 1 17 GLY GLY N Y 
PRD_000926 1 18 NH2 ?   N Y 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_000926 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 32630 
_pdbx_reference_entity_src_nat.organism_scientific   "Synthetic construct" 
_pdbx_reference_entity_src_nat.source                ? 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000926 2013-04-02 RCSB "Create molecule"    
PRD_000926 2013-06-03 RCSB "Other modification" 
PRD_000926 2013-07-17 RCSB "Initial release"    
# 
