Structure of PDB 1xw3 Chain A Binding Site BS01

Receptor Information
>1xw3 Chain A (length=110) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPHMSIHSGRIAAVHNVPLSVLIRPLPSVLDPAKVQSLVDTIREDPDSVP
PIDVLWIKGAQGGDYFYSFGGCHRYAAYQQLQRETIPAKLVQSTLSDLRV
YLGASTPDLQ
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1xw3 Chain A Residue 138 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xw3 Structural basis for the retroreduction of inactivated peroxiredoxins by human sulfiredoxin.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		K61 G98 H100 R101
Binding residue
(residue number reindexed from 1)		K34 G71 H73 R74
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.2: sulfiredoxin.
Gene Ontology
Molecular Function
GO:0032542 sulfiredoxin activity

View graph for
Molecular Function
External links
PDB RCSB:1xw3, PDBe:1xw3, PDBj:1xw3
PDBsum1xw3
PubMed15952770
UniProtQ9BYN0|SRXN1_HUMAN Sulfiredoxin-1 (Gene Name=SRXN1)

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