› 7pci

X-ray diffraction
1.9Å resolution

BurG (holo) in complex with hydroxypyruvate-enol (8): Biosynthesis of cyclopropanol rings in bacterial toxins

Released:
DOI: 10.2210/pdb7pci/pdb
PDB entry 7pci coloured by chain, front view.
PDB entry 7pci coloured by chain, side view.
PDB entry 7pci coloured by chain, top view.
Source organism: Burkholderia thailandensis E264
Primary publication:
Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Trottmann F, Ishida K, Ishida-Ito M, Kries H, Groll M, Hertweck C
Nat Chem (2022)
PMID: 35906404

Function and Biology Details

Reaction catalysed: 
(2R)-2,3-dihydroxy-3-methylbutanoate + NADP(+) = (2S)-2-hydroxy-2-methyl-3-oxobutanoate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-174010 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ketol-acid reductoisomerase (NADP(+)) Chain: A
Molecule details ›
Chain: A
Length: 358 amino acids
Theoretical weight: 38.72 KDa
Source organism: Burkholderia thailandensis E264
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q2T3G7 (Residues: 2-353; Coverage: 100%)
Gene names: BTH_II2094, ilvC-2
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
3 bound ligands:
Ligand MG 2 x MG
Ligand 74I 1 x 74I
Ligand IMD 1 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21212
Unit cell:
a: 75.67Å b: 84.47Å c: 46.2Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.199 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

S-Adenosylmethionine: more than just a methyl donor.
Lee et al. (2023)
1 more

1 mention without citation

Pathogenic bacteria remodel central metabolic enzyme to build a cyclopropanol warhead.
Trottmann et al. (2022)