1t40

X-ray diffraction
1.8Å resolution

Crystal structure of human aldose reductase complexed with NADP and IDD552 at ph 5

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (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
Structure domains: NADP-dependent oxidoreductase domain

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM30A
Spacegroup: P21
Unit cell:
a: 50Å b: 67.24Å c: 47.78Å
α: 90° β: 92.5° γ: 90°
R-values:
R R work R free
0.159 0.159 0.193
Expression system: Escherichia coli BL21