Structure of PDB 7pci Chain A Binding Site BS02

Receptor Information

>7pci Chain A (length=345) Species: 271848 (Burkholderia thailandensis E264)

DLIYQDEHASLQPLEGRTVAVIGYGIQGRAFAANLRDSGVAVRVGNIDDR
YFELARAEGHRVTNIAEAVAHADIVLLLIPDEAHGAVFDVDIAPNLRDGA
LLCVAHGHSLVQGDVRPLPGRDLAMLAPRMYGDPIRRYYLAGQGAPAYFD
IVADHTGRARDRVLAIARAVGFTRAGVMALGYRQETFLDLFQEQFLAPAL
VDLVETGFQVLVERGFNPKAALLEVYGSGEMGKMMLDGADIGLDEVVALQ
GSPTCQVGYHRWRGRTLPTAVRELAARVLDQIEGGDFSAYLKEQASNDYA
SLDDARRAALKRPLNVAHAQVRAAFRFPTEAAGGLYQAAQAPADV

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: 7pci Chain A Residue 803

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7pci Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): D191 E195
• 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:0000166 nucleotide binding
• GO:0004455 ketol-acid reductoisomerase activity
• GO:0016491 oxidoreductase 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

External links

• PDB: RCSB:7pci, PDBe:7pci, PDBj:7pci
• PDBsum: 7pci
• PubMed: 35906404
• UniProt: Q2T3G7