› 1yon

X-ray diffraction
1.95Å resolution

Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate

Released:
DOI: 10.2210/pdb1yon/pdb
PDB entry 1yon coloured by chain, front view.
PDB entry 1yon coloured by chain, side view.
PDB entry 1yon coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Ciulli A, Lobley CM, Tuck KL, Smith AG, Blundell TL, Abell C
Acta Crystallogr D Biol Crystallogr 63 171-8 (2007)
PMID: 17242510

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 Chain: A
Molecule details ›
Chain: A
Length: 303 amino acids
Theoretical weight: 33.91 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0A9J4 (Residues: 1-303; Coverage: 100%)
Gene names: JW0415, apbA, b0425, panE
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand A2R 1 x A2R
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 60.318Å b: 65.833Å c: 98.207Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.168 0.166 0.21
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Limitations and lessons in the use of X-ray structural information in drug design.
Davis et al. (2008)
2 more

1 mention without citation

pH-tuneable binding of 2'-phospho-ADP-ribose to ketopantoate reductase: a structural and calorimetric study.
Ciulli et al. (2007)