Structure of PDB 1jzw Chain A Binding Site BS01

Receptor Information
>1jzw 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 IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1jzw Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1jzw Insights into the structure, solvation, and mechanism of ArsC arsenate reductase, a novel arsenic detoxification enzyme.
Resolution1.76 Å
Binding residue
(original residue number in PDB)		T14 P108 S109 K126
Binding residue
(residue number reindexed from 1)		T12 P106 S107 K124
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1jzw, PDBe:1jzw, PDBj:1jzw
PDBsum1jzw
PubMed11709171
UniProtP08692|ARSC1_ECOLX Arsenate reductase (Gene Name=arsC)

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