› 4kqx

X-ray diffraction
1.8Å resolution

Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor

Released:
DOI: 10.2210/pdb4kqx/pdb
PDB entry 4kqx coloured by chain, front view.
PDB entry 4kqx coloured by chain, side view.
PDB entry 4kqx coloured by chain, top view.
Source organism: Slackia exigua ATCC 700122
Primary publication:
General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Brinkmann-Chen S, Flock T, Cahn JK, Snow CD, Brustad EM, McIntosh JA, Meinhold P, Zhang L, Arnold FH
Proc Natl Acad Sci U S A 110 10946-51 (2013)
PMID: 23776225

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-112216 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ketol-acid reductoisomerase (NADP(+)) Chains: A, B
Molecule details ›
Chains: A, B
Length: 350 amino acids
Theoretical weight: 38.93 KDa
Source organism: Slackia exigua ATCC 700122
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: D0WGK0 (Residues: 1-342; Coverage: 100%)
Gene names: HMPREF0762_00954, ilvC
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
3 bound ligands:
Ligand HIO 2 x HIO
Ligand MG 10 x MG
Ligand HIS 1 x HIS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P212121
Unit cell:
a: 49.985Å b: 105.346Å c: 122.357Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.201 0.252
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Bacterial Branched-Chain Amino Acid Biosynthesis: Structures, Mechanisms, and Drugability.
Amorim Franco et al. (2017)
6 more

3 mentions without citation

General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH.
Brinkmann-Chen et al. (2013)
2 more