Structure of PDB 1j9b Chain A Binding Site BS03

Receptor Information
>1j9b Chain A (length=138) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NITIYHNPACGTSRNTLEMIRNSGTEPTIILYLENPPSRDELVKLIADMG
ISVRALLRKNVEPYEQLGLAEDKFTDDQLIDFMLQHPILINRPIVVTPLG
TRLCRPSEVVLDILQDAQKGAFTKEDGEKVVDEAGKRL
Ligand information
Ligand IDTAS
InChIInChI=1S/AsH3O3/c2-1(3)4/h2-4H
InChIKeyGCPXMJHSNVMWNM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O[As](O)O
FormulaAs H3 O3
NameTRIHYDROXYARSENITE(III)
ChEMBLCHEMBL1236189
DrugBankDB04456
ZINC
PDB chain1j9b Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j9b Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme.
Resolution1.26 Å
Binding residue
(original residue number in PDB)		X12 R60 R94
Binding residue
(residue number reindexed from 1)		X10 R58 R92
Annotation score1
Enzymatic activity
Enzyme Commision number 1.20.4.1: arsenate reductase (glutathione/glutaredoxin).
Gene Ontology
Molecular Function
GO:0008794 arsenate reductase (glutaredoxin) activity
GO:0016491 oxidoreductase activity
Biological Process
GO:0046685 response to arsenic-containing substance

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Molecular Function
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Biological Process
External links
PDB RCSB:1j9b, PDBe:1j9b, PDBj:1j9b
PDBsum1j9b
PubMed11709171
UniProtP08692|ARSC1_ECOLX Arsenate reductase (Gene Name=arsC)

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