PDBe 3fx4

X-ray diffraction
1.99Å resolution

Porcine aldehyde reductase in ternary complex with inhibitor

Released:
Source organism: Sus scrofa
Entry authors: Carbone V, El-Kabbani O

Function and Biology Details

Reactions catalysed:
L-gulonate + NADP(+) = D-glucuronate + NADPH
Allyl alcohol + NADP(+) = acrolein + NADPH
An alcohol + NADP(+) = an aldehyde + NADPH
(R)-mevalonate + NADP(+) = mevaldate + NADPH
L-gulono-1,4-lactone + NADP(+) = D-glucurono-3,6-lactone + NADPH
Glycerol + NADP(+) = D-glyceraldehyde + NADPH
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member A1 Chain: A
Molecule details ›
Chain: A
Length: 325 amino acids
Theoretical weight: 36.63 KDa
Source organism: Sus scrofa
UniProt:
  • Canonical: P50578 (Residues: 1-325; Coverage: 100%)
Gene names: AKR1A1, ALR, ALR1
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P6522
Unit cell:
a: 67.35Å b: 67.35Å c: 246.25Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.192 0.246