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BioLiP

Structure of PDB 1j9b Chain A Binding Site BS01

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 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 chain1j9b Chain A Residue 204 [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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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)		T14 N17 P108 S109 K126
Binding residue
(residue number reindexed from 1)		T12 N15 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

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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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