Structure of PDB 8upq Chain D Binding Site BS02

Receptor Information

>8upq Chain D (length=340) Species: 197 (Campylobacter jejuni)

TVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGSV
SAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEGK
AIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLIA
IHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCGG
LSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSIS
NTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFARM
HAERKNMNDSLIEKTGRNLRAMMPWISAKKLVDADKNYKH

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8upq Chain D Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8upq Mapping of the Reaction Trajectory catalyzed by Class I Ketol-Acid Reductoisomerase
• Resolution: 2.45 Å
• Binding residue (original residue number in PDB): D192 E196
• Binding residue (residue number reindexed from 1): D189 E193
• Annotation score: 1

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

External links

• PDB: RCSB:8upq, PDBe:8upq, PDBj:8upq
• PDBsum: 8upq
• UniProt: Q9PHN5|ILVC_CAMJE Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)