› 6vo2

X-ray diffraction
1.59Å resolution

Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg, NADPH and inhibitor.

Released:
DOI: 10.2210/pdb6vo2/pdb
PDB entry 6vo2 coloured by chain, front view.
PDB entry 6vo2 coloured by chain, side view.
PDB entry 6vo2 coloured by chain, top view.
Source organism: Staphylococcus aureus
Primary publication:
Discovery, Synthesis and Evaluation of a Ketol-Acid Reductoisomerase Inhibitor.
Bayaraa T, Kurz JL, Patel KM, Hussein WM, Bilyj JK, West NP, Schenk G, McGeary RP, Guddat LW
Chemistry 26 8958-8968 (2020)
PMID: 32198779

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-173434 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ketol-acid reductoisomerase (NADP(+)) Chains: A, B
Molecule details ›
Chains: A, B
Length: 334 amino acids
Theoretical weight: 37.06 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q2FWK4 (Residues: 1-334; Coverage: 100%)
Gene names: SAOUHSC_02284, ilvC
Sequence domains:

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
2 bound ligands:
Ligand MG 4 x MG
Ligand R67 2 x R67
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 64.039Å b: 80.825Å c: 66.803Å
α: 90° β: 92.61° γ: 90°
R-values:
R R work R free
0.164 0.163 0.2
Expression system: Escherichia coli BL21

Quick links

Citations

7 citation in other articles

Dihydroxy-Acid Dehydratases From Pathogenic Bacteria: Emerging Drug Targets to Combat Antibiotic Resistance.
Bayaraa et al. (2022)
6 more