Structure of PDB 4kqx Chain A Binding Site BS04

Receptor Information

>4kqx Chain A (length=322) Species: 649764 (Slackia exigua ATCC 700122)

ILYEQDVDPKVIQGLKVGIIGYGSQGHAHALNLMDSGVDVRVGLREGDSD
WKTAEEAGLKVTDMDTAAEEADVIMVLVPDEVQPKVYQEHIAAHLKAGNT
LAFAHGFNIHYGYIVPPEDVNVIMCAPKGPGHIVRRQFTEGSGVPDLACV
QQDATGNAWDIVLSYCWGVGGARSGIIKATFAEETEEDLFGEQAVLCGGL
VELVKAGFETLTEAGYPPELAYFECYHEMKMIVDLMYESGIHFMNYSISN
TAEYGEYYAGPKVINEQSREAMKEILKRIQDGSFAQEFVDDCNNGHKRLL
EQREAINTHPIETTGAQIRSMF

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: 4kqx Chain A Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4kqx General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): Y259 S260 I261
• Binding residue (residue number reindexed from 1): Y246 S247 I248
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K141 D201 E205
• Catalytic site (residue number reindexed from 1): K128 D188 E192
• 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:4kqx, PDBe:4kqx, PDBj:4kqx
• PDBsum: 4kqx
• PubMed: 23776225
• UniProt: D0WGK0|ILVC_SLAES Ketol-acid reductoisomerase (NADP(+)) (Gene Name=ilvC)