Structure of PDB 4xiy Chain B Binding Site BS02

Receptor Information
>4xiy Chain B (length=328) Species: 322710 (Azotobacter vinelandii DJ) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVYYDKDCDLSIIQSKKVAIIGYGSQGHAHACNLKDSGVDVYVGLRAGS
ASVAKAEAHGLTVKSVKDAVAAADVVMILTPDEFQGRLYKDEIEPNLKKG
ATLAFAHGFSIHYNQVVPRADLDVIMIAPKAPGHTVRSEFVRGGGIPDLI
AVYQDASGNAKNLALSYACGVGGGRTGIIETTFKDETETDLFGEQAVLCG
GCVELVKAGFETLVEAGYAPEMAYFECLHELKLIVDLMFEGGIANMNYSI
SNNAEYGEYVTGPEVINEQSRQAMRNALKRIQDGEYAKMFITEGAANYPS
MTAYRRNNAAHQIEVVGEKLRTMMPWIA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4xiy Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xiy Cofactor specificity motifs and the induced fit mechanism in class I ketol-acid reductoisomerases.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D190 E194
Binding residue
(residue number reindexed from 1)		D190 E194
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K130 D190 E194
Catalytic site (residue number reindexed from 1) K130 D190 E194
Enzyme Commision number 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004455 ketol-acid reductoisomerase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xiy, PDBe:4xiy, PDBj:4xiy
PDBsum4xiy
PubMed25849365
UniProtC1DFH7|ILVC_AZOVD Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

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