Structure of PDB 7toc Chain A Binding Site BS04

Receptor Information

>7toc Chain A (length=359) Species: 498019 (Candidozyma auris)

VVSAAPLATRGLKTINFGGTEEVVHERADWPREKLLEYFKNDTMALIGYG
SQGYGQGLNLRDNGLNVIIGVRKNGASWKAAIEDGWVPGENLFDVKEAIT
KGTIIMNLLSDAAQSETWPDLKPLITEGKTLYFSHGFSPVFKDLTKVEPP
SNVDVILAAPKGSGRTVRSLFLEGRGINSSYAVWNDVTGKAEEKAIAMAV
AIGSGYVYQTTFEREVNSDLYGERGCLMGGIHGMFLAQYEVLRENGHTPS
EAFNETVEEATQSLYPLIGKYGMDYMYDACSTTARRGALDWYPRFKDALK
PVFVELYESVKNGTETQRSLDFNGAPDYRERLEEELETIRNMEIWKVGKE
VRKLRPENQ

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: 7toc Chain B Residue 505

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7toc Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris
• Resolution: 2.43 Å
• Binding residue (original residue number in PDB): K202 D260
• Binding residue (residue number reindexed from 1): K161 D219
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.86: ketol-acid reductoisomerase (NADP(+)).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004455 ketol-acid reductoisomerase activity
• GO:0016491 oxidoreductase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion 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:0005739 mitochondrion

External links

• PDB: RCSB:7toc, PDBe:7toc, PDBj:7toc
• PDBsum: 7toc
• UniProt: A0A2H0ZMH9