› 1az2

X-ray diffraction
2.9Å resolution

CITRATE BOUND, C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE

Released:
DOI: 10.2210/pdb1az2/pdb
PDB entry 1az2 coloured by chain, front view.
PDB entry 1az2 coloured by chain, side view.
PDB entry 1az2 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The alrestatin double-decker: binding of two inhibitor molecules to human aldose reductase reveals a new specificity determinant.
Harrison DH, Bohren KM, Petsko GA, Ringe D, Gabbay KH
Biochemistry 36 16134-40 (1997)
PMID: 9405046

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: 315 amino acids
Theoretical weight: 35.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15121 (Residues: 2-316; 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 CIT 1 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELLIOTT GX-6
Spacegroup: P212121
Unit cell:
a: 50.034Å b: 67.167Å c: 92.177Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 not available
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Diabetes complications and their potential prevention: aldose reductase inhibition and other approaches.
Costantino et al. (1999)
4 more

2 mentions without citation

From the similarity analysis of protein cavities to the functional classification of protein families using cavbase.
Kuhn et al. (2006)
1 more