› 2ofp

X-ray diffraction
2.3Å resolution

Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate

Released:
DOI: 10.2210/pdb2ofp/pdb
PDB entry 2ofp coloured by chain, front view.
PDB entry 2ofp coloured by chain, side view.
PDB entry 2ofp coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate bound: substrate recognition, conformational change, and cooperativity.
Ciulli A, Chirgadze DY, Smith AG, Blundell TL, Abell C
J Biol Chem 282 8487-97 (2007)
PMID: 17229734

Function and Biology Details

Reaction catalysed: 
(R)-pantoate + NADP(+) = 2-dehydropantoate + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141889 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2-dehydropantoate 2-reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 320 amino acids
Theoretical weight: 35.84 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A9J4 (Residues: 1-303; Coverage: 100%)
Gene names: JW0415, apbA, b0425, panE
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAP 2 x NAP
3 bound ligands:
Ligand PAF 2 x PAF
Ligand DIO 4 x DIO
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P41212
Unit cell:
a: 101.692Å b: 101.692Å c: 171.168Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.156 0.215
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Coenzyme A biosynthesis: an antimicrobial drug target.
Spry et al. (2008)
4 more

6 mentions without citation

Cloning and characterization of a novel 2-ketoisovalerate reductase from the beauvericin producer Fusarium proliferatum LF061.
Zhang et al. (2012)
5 more