› 3fx4

X-ray diffraction
1.99Å resolution

Porcine aldehyde reductase in ternary complex with inhibitor

Released:
DOI: 10.2210/pdb3fx4/pdb
PDB entry 3fx4 coloured by chain, front view.
PDB entry 3fx4 coloured by chain, side view.
PDB entry 3fx4 coloured by chain, top view.
Source organism: Sus scrofa
Primary publication:
Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Carbone V, Giglio M, Chung R, Huyton T, Adams J, Maccari R, Ottana R, Hara A, El-Kabbani O
Eur J Med Chem 45 1140-5 (2010)
PMID: 20036445

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-156225 (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:
Ligand SO4 3 x SO4
Ligand FX4 1 x FX4
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

Quick links

Citations

3 citation in other articles

Characterization of Emodin as a Therapeutic Agent for Diabetic Cataract.
Chang et al. (2016)
2 more

4 mentions without citation

Development and exploration of novel substituted thiosemicarbazones as inhibitors of aldose reductase via in vitro analysis and computational study.
Imran et al. (2022)
3 more