Structure of PDB 8sxd Chain A Binding Site BS01

Receptor Information
>8sxd Chain A (length=327) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ITVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGS
VSAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEG
KAIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLI
AIHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCG
GLSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSI
SNTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFAR
MHAERKNMNDSLIEKTGRNLRAMMPWI
Ligand information
Ligand IDWXU
InChIInChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)
InChIKeyDNOPJXBPONYBLB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C(=O)C(=O)O)O
CACTVS 3.385CC(C)(O)C(=O)C(O)=O
ACDLabs 12.01O=C(O)C(=O)C(C)(C)O
FormulaC5 H8 O4
Name3-hydroxy-3-methyl-2-oxobutanoic acid
ChEMBL
DrugBank
ZINC
PDB chain8sxd Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8sxd Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
Resolution2.59 Å
Binding residue
(original residue number in PDB)		D192 E196
Binding residue
(residue number reindexed from 1)		D190 E194
Annotation score1
Enzymatic activity
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:8sxd, PDBe:8sxd, PDBj:8sxd
PDBsum8sxd
PubMed
UniProtQ9PHN5|ILVC_CAMJE Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)

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