› 1z3n

X-ray diffraction
1.04Å 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-147224 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B1 Chain: A
Molecule details ›
Chain: A
Length: 319 amino acids
Theoretical weight: 36.18 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 NDP 1 x NDP
1 bound ligand:
Ligand 3NA 1 x 3NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LURE BEAMLINE DW32
Spacegroup: P21
Unit cell:
a: 50.14Å b: 67.34Å c: 47.88Å
α: 90° β: 92.5° γ: 90°
R-values:
R R work R free
0.098 0.091 0.125
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Medicinal significance of benzothiazole scaffold: an insight view.
Sharma et al. (2013)
2 more

9 mentions without citation

Development of Novel Indole-Based Bifunctional Aldose Reductase Inhibitors/Antioxidants as Promising Drugs for the Treatment of Diabetic Complications.
Kovacikova et al. (2021)
8 more