data_PRD_000488
# 
_pdbx_reference_molecule.prd_id                       PRD_000488 
_pdbx_reference_molecule.name                         "TRIOSTIN A" 
_pdbx_reference_molecule.represent_as                 polymer 
_pdbx_reference_molecule.type                         "Cyclic depsipeptide" 
_pdbx_reference_molecule.type_evidence_code           ? 
_pdbx_reference_molecule.class                        Anticancer 
_pdbx_reference_molecule.class_evidence_code          ? 
_pdbx_reference_molecule.formula                      "C50 H62 N12 O12 S2" 
_pdbx_reference_molecule.formula_weight               1087.230 
_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             
;TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE, A MEMBER
OF THE QUINOXALINE CLASS OF ANTIBIOTICS.
HERE, TRIOSTIN IS REPRESENTED BY GROUPING TOGETHER THE
SEQUENCE (SEQRES) AND THE TWO LIGANDS (HET) QUI
;
_pdbx_reference_molecule.description                  
;TRIOSTIN IS A BICYCLIC OCTADEPSIPEPTIDE.
BICYCLIZATION IS ACHIEVED BY LINKING THE N- AND
THE C- TERMINI, AND A DISULPHIDE BOND BETWEEN
RESIDUES 3 AND 7.
THE TWO QUINOXALINE CHROMOPHORES ARE LINKED
TO THE D-SERINE RESIDUES, RESIDUES 1 AND 5.
;
_pdbx_reference_molecule.representative_PDB_id_code   185d 
# 
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_000488 1 1 polymer     "PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 8" 
PRD_000488 2 2 non-polymer "QUINALDIC ACID CHROMOPHORE"            
PRD_000488 2 3 non-polymer "QUINALDIC ACID CHROMOPHORE"            
# 
_pdbx_reference_entity_nonpoly.prd_id          PRD_000488 
_pdbx_reference_entity_nonpoly.ref_entity_id   2 
_pdbx_reference_entity_nonpoly.name            "QUINALDIC ACID CHROMOPHORE" 
_pdbx_reference_entity_nonpoly.chem_comp_id    QUI 
_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_000488 1 PN 1 1 DSN N 2 ? QUI C sing 1 2 ? ? ? 
PRD_000488 2 PN 1 5 DSN N 2 ? QUI C sing 1 3 ? ? ? 
# 
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_000488 1 1 C  DSN 1 N  ALA 2 sing 1 ? ? ? 
PRD_000488 1 2 OG DSN 1 C  MVA 8 sing 1 ? ? ? 
PRD_000488 1 3 C  ALA 2 N  NCY 3 sing 1 ? ? ? 
PRD_000488 1 4 C  NCY 3 N  MVA 4 sing 1 ? ? ? 
PRD_000488 1 5 SG NCY 3 SG NCY 7 sing 1 ? ? ? 
PRD_000488 1 6 C  MVA 4 OG DSN 5 sing 1 ? ? ? 
PRD_000488 1 7 C  DSN 5 N  ALA 6 sing 1 ? ? ? 
PRD_000488 1 8 C  ALA 6 N  NCY 7 sing 1 ? ? ? 
PRD_000488 1 9 C  NCY 7 N  MVA 8 sing 1 ? ? ? 
# 
_pdbx_reference_entity_poly.prd_id          PRD_000488 
_pdbx_reference_entity_poly.ref_entity_id   1 
_pdbx_reference_entity_poly.db_code         NOR01129 
_pdbx_reference_entity_poly.db_name         NOR 
_pdbx_reference_entity_poly.type            peptide-like 
# 
_pdbx_reference_entity_sequence.prd_id          PRD_000488 
_pdbx_reference_entity_sequence.ref_entity_id   1 
_pdbx_reference_entity_sequence.type            peptide-like 
_pdbx_reference_entity_sequence.NRP_flag        Y 
# 
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_000488 1 1 DSN SER N Y 
PRD_000488 1 2 ALA ALA N Y 
PRD_000488 1 3 NCY CYS N Y 
PRD_000488 1 4 MVA VAL N Y 
PRD_000488 1 5 DSN SER N Y 
PRD_000488 1 6 ALA ALA N Y 
PRD_000488 1 7 NCY CYS N Y 
PRD_000488 1 8 MVA VAL N Y 
# 
loop_
_pdbx_reference_entity_src_nat.prd_id 
_pdbx_reference_entity_src_nat.ref_entity_id 
_pdbx_reference_entity_src_nat.ordinal 
_pdbx_reference_entity_src_nat.taxid 
_pdbx_reference_entity_src_nat.organism_scientific 
_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 
PRD_000488 1 1 45399 "Streptomyces triostinicus" ?      NOR01129 Norine ? 
PRD_000488 1 2 1931  Streptomycineae             PubMed ?        ?      ? 
# 
loop_
_pdbx_prd_audit.prd_id 
_pdbx_prd_audit.date 
_pdbx_prd_audit.processing_site 
_pdbx_prd_audit.action_type 
PRD_000488 2012-02-08 RCSB "Create molecule"    
PRD_000488 2012-07-09 PDBE "Other modification" 
PRD_000488 2012-07-31 RCSB "Other modification" 
PRD_000488 2012-12-12 RCSB "Initial release"    
PRD_000488 2013-06-03 RCSB "Other modification" 
PRD_000488 2017-05-04 RCSB "Other modification" 
PRD_000488 2023-09-20 PDBE "Modify audit"       
# 
