data_PRD_002379
# 
_pdbx_reference_molecule.prd_id                       PRD_002379 
_pdbx_reference_molecule.name                         "thiopeptide TP1" 
_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                      "C83 H108 N19 O17 S2" 
_pdbx_reference_molecule.formula_weight               1707.993 
_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   7XZQ 
# 
_pdbx_reference_entity_list.prd_id          PRD_002379 
_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_002379 1 1  C  DHA 1  N  TRP 2  sing 1 ? ? ? 
PRD_002379 1 2  CA DHA 1  C  BB9 15 sing 1 ? ? ? 
PRD_002379 1 3  CB DHA 1  CB DHA 16 sing 1 ? ? ? 
PRD_002379 1 4  C  TRP 2  N  GLY 3  sing 1 ? ? ? 
PRD_002379 1 5  C  GLY 3  N  PHE 4  sing 1 ? ? ? 
PRD_002379 1 6  C  PHE 4  N  ILE 5  sing 1 ? ? ? 
PRD_002379 1 7  C  ILE 5  N  TYR 6  sing 1 ? ? ? 
PRD_002379 1 8  C  TYR 6  N  LYS 7  sing 1 ? ? ? 
PRD_002379 1 9  C  LYS 7  N  THR 8  sing 1 ? ? ? 
PRD_002379 1 10 C  THR 8  N  LEU 9  sing 1 ? ? ? 
PRD_002379 1 11 C  LEU 9  N  LYS 10 sing 1 ? ? ? 
PRD_002379 1 12 C  LYS 10 N  DHA 11 sing 1 ? ? ? 
PRD_002379 1 13 C  DHA 11 N  DHA 12 sing 1 ? ? ? 
PRD_002379 1 14 C  DHA 12 N  GLY 13 sing 1 ? ? ? 
PRD_002379 1 15 C  GLY 13 N  DHA 14 sing 1 ? ? ? 
PRD_002379 1 16 C  DHA 14 N  BB9 15 sing 1 ? ? ? 
PRD_002379 1 17 C  DHA 14 SG BB9 15 sing 1 ? ? ? 
PRD_002379 1 18 C  BB9 15 N  DHA 16 sing 1 ? ? ? 
PRD_002379 1 19 C  DHA 16 N  BB9 17 sing 1 ? ? ? 
PRD_002379 1 20 C  DHA 16 SG BB9 17 sing 1 ? ? ? 
PRD_002379 1 21 C  BB9 17 O  MOH 18 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_002379 
_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_002379 
_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_002379 1 1  DHA SER N Y 
PRD_002379 1 2  TRP TRP N Y 
PRD_002379 1 3  GLY GLY N Y 
PRD_002379 1 4  PHE PHE N Y 
PRD_002379 1 5  ILE ILE N Y 
PRD_002379 1 6  TYR TYR N Y 
PRD_002379 1 7  LYS LYS N Y 
PRD_002379 1 8  THR THR N Y 
PRD_002379 1 9  LEU LEU N Y 
PRD_002379 1 10 LYS LYS N Y 
PRD_002379 1 11 DHA SER N Y 
PRD_002379 1 12 DHA SER N Y 
PRD_002379 1 13 GLY GLY N Y 
PRD_002379 1 14 DHA SER N Y 
PRD_002379 1 15 BB9 CYS N Y 
PRD_002379 1 16 DHA SER N Y 
PRD_002379 1 17 BB9 CYS N Y 
PRD_002379 1 18 MOH .   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_002379 2022-06-21 PDBJ "Create molecule" 
PRD_002379 2022-10-26 RCSB "Initial release" 
# 
