› 1t41

X-ray diffraction
1.05Å resolution

Crystal structure of human aldose reductase complexed with NADP and IDD552

Released:
DOI: 10.2210/pdb1t41/pdb
PDB entry 1t41 coloured by chain, front view.
PDB entry 1t41 coloured by chain, side view.
PDB entry 1t41 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystallographic structure of the aldose reductase-IDD552 complex shows direct proton donation from tyrosine 48.
Ruiz F, Hazemann I, Mitschler A, Joachimiak A, Schneider T, Karplus M, Podjarny A
Acta Crystallogr D Biol Crystallogr 60 1347-54 (2004)
PMID: 15272156

Function and Biology Details

Reactions catalysed: 
Alditol + NAD(P)(+) = aldose + NAD(P)H
All-trans-retinol + NADP(+) = all-trans-retinal + NADPH
Glycerol + NADP(+) = D-glyceraldehyde + NADPH
Allyl alcohol + NADP(+) = acrolein + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-537846 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B1 Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 35.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P15121 (Residues: 1-316; Coverage: 100%)
Gene names: AKR1B1, ALDR1, ALR2
Sequence domains: Aldo/keto reductase family
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand ID5 1 x ID5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P1
Unit cell:
a: 47.057Å b: 47.525Å c: 40.028Å
α: 67.32° β: 76.79° γ: 75.82°
R-values:
R R work R free
0.108 0.108 0.133
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

The aldo-keto reductase superfamily and its role in drug metabolism and detoxification.
Barski et al. (2008)
11 other articles

4 mentions without citation

Expression Profiling Identifies Bezafibrate as Potential Therapeutic Drug for Lung Adenocarcinoma.
Liu et al. (2015)
3 more