› 1ah3

X-ray diffraction
2.3Å resolution

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-160380 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B1 Chain: A
Molecule details ›
Chain: A
Length: 315 amino acids
Theoretical weight: 35.82 KDa
Source organism: Sus scrofa
UniProt:
  • Canonical: P80276 (Residues: 2-316; Coverage: 100%)
Gene names: AKR1B1, 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 TOL 1 x TOL
1 modified residue:
Ligand AYA 1 x AYA

Experiments and Validation Details

Entry percentile scores
X-ray source: LURE BEAMLINE DW32
Spacegroup: P43212
Unit cell:
a: 68.42Å b: 68.42Å c: 153.56Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.207 0.29

Quick links

Citations

9 review citations

Implications of protein flexibility for drug discovery.
Teague SJ. (2003)
8 more

18 mentions without citation

How to do an evaluation: pitfalls and traps.
Hawkins et al. (2008)
17 more