data_PRD_001172
# 
_pdbx_reference_molecule.prd_id                       PRD_001172 
_pdbx_reference_molecule.name                         "nosiheptide bound form" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         Thiopeptide 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Antibiotic 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C51 H53 N13 O12 S6" 
_pdbx_reference_molecule.formula_weight               1232.436 
_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   2MC0 
# 
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_001172 1 1 polymer     "PEPTIDE LIKE SEQUENCE  RESIDUES 1 TO 13" 
PRD_001172 2 2 non-polymer NO1                                       
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_001172 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid" 
_pdbx_reference_entity_nonpoly.chem_comp_id    NO1 
_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_001172 1 PN 1 6 3GL OE1 2 ? NO1 CF sing 1 2 ? ? ? 
PRD_001172 2 PN 1 8 CYS SG  2 ? NO1 C  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_001172 1 1  CA SER 1  C  BB9 9  sing 1 ? ? ? 
PRD_001172 1 2  C  SER 1  N  BB9 2  doub 1 ? ? ? 
PRD_001172 1 3  C  SER 1  SG BB9 2  sing 1 ? ? ? 
PRD_001172 1 4  CB SER 1  CB MH6 10 sing 1 ? ? ? 
PRD_001172 1 5  C  BB9 2  N  THR 3  sing 1 ? ? ? 
PRD_001172 1 6  C  THR 3  N  DBU 4  sing 1 ? ? ? 
PRD_001172 1 7  C  DBU 4  N  BB9 5  doub 1 ? ? ? 
PRD_001172 1 8  C  DBU 4  SG BB9 5  sing 1 ? ? ? 
PRD_001172 1 9  C  BB9 5  N  3GL 6  sing 1 ? ? ? 
PRD_001172 1 10 C  3GL 6  SG BB9 7  sing 1 ? ? ? 
PRD_001172 1 11 C  3GL 6  N  BB9 7  doub 1 ? ? ? 
PRD_001172 1 12 C  BB9 7  N  CYS 8  sing 1 ? ? ? 
PRD_001172 1 13 C  CYS 8  N  BB9 9  doub 1 ? ? ? 
PRD_001172 1 14 C  CYS 8  SG BB9 9  sing 1 ? ? ? 
PRD_001172 1 15 C  BB9 9  N  MH6 10 doub 1 ? ? ? 
PRD_001172 1 16 C  MH6 10 N  BB9 11 doub 1 ? ? ? 
PRD_001172 1 17 C  MH6 10 SG BB9 11 sing 1 ? ? ? 
PRD_001172 1 18 C  BB9 11 N  ALA 12 sing 1 ? ? ? 
PRD_001172 1 19 C  ALA 12 N  NH2 13 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_001172 
_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_001172 
_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_001172 1 1  SER SER N Y 
PRD_001172 1 2  BB9 CYS N Y 
PRD_001172 1 3  THR THR N Y 
PRD_001172 1 4  DBU THR N Y 
PRD_001172 1 5  BB9 CYS N Y 
PRD_001172 1 6  3GL GLU N Y 
PRD_001172 1 7  BB9 CYS N Y 
PRD_001172 1 8  CYS CYS N Y 
PRD_001172 1 9  BB9 CYS N Y 
PRD_001172 1 10 MH6 SER N Y 
PRD_001172 1 11 BB9 CYS N Y 
PRD_001172 1 12 ALA ALA N Y 
PRD_001172 1 13 NH2 ?   N Y 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_001172 2013-10-02 PDBJ "Create molecule" 
PRD_001172 2014-12-10 RCSB "Initial release" 
# 
_pdbx_reference_entity_src_nat.prd_id                PRD_001172 
_pdbx_reference_entity_src_nat.ref_entity_id         1 
_pdbx_reference_entity_src_nat.ordinal               1 
_pdbx_reference_entity_src_nat.taxid                 1885 
_pdbx_reference_entity_src_nat.organism_scientific   "Streptomyces actuosus" 
_pdbx_reference_entity_src_nat.source                UNP 
_pdbx_reference_entity_src_nat.db_code               ? 
_pdbx_reference_entity_src_nat.db_name               ? 
_pdbx_reference_entity_src_nat.strain                ? 
# 
