Structure of PDB 7luj Chain C Binding Site BS01

Receptor Information
>7luj Chain C (length=188) Species: 272560 (Burkholderia pseudomallei K96243) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APVAGKDFEVMKSPQPVSAPAGKVEVIEFFWYGCPHCYEFEPTIEAWVKK
QGDKIAFKRVPVAFRDDFVPHSKLFYALAALGVSEKVTPAVFNAIHKEKN
YLLTPQAQADFLATQGVDKKKFLDAYNSFSVQGQVKQSAELLKNYNIDGV
PTIVVQGKYKTGPAYTNSLEGTAQVLDFLVKQVQDKKL
Ligand information
Ligand IDYCY
InChIInChI=1S/C13H13NO3S/c1-17-12-7-9-13(10-8-12)18(15,16)14-11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyGXQBXHZUPPDPLY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc(cc1)S(=O)(=O)Nc2ccccc2
CACTVS 3.385COc1ccc(cc1)[S](=O)(=O)Nc2ccccc2
FormulaC13 H13 N O3 S
Name4-methoxy-~{N}-phenyl-benzenesulfonamide
ChEMBLCHEMBL182454
DrugBank
ZINCZINC000000361736
PDB chain7luj Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7luj Identification and characterization of two drug-like fragments that bind to the same cryptic binding pocket of Burkholderia pseudomallei DsbA.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		H45 V159 P172 N176
Binding residue
(residue number reindexed from 1)		H36 V150 P163 N167
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity

View graph for
Molecular Function
External links
PDB RCSB:7luj, PDBe:7luj, PDBj:7luj
PDBsum7luj
PubMed34981764
UniProtQ63Y08

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