› 1zua

X-ray diffraction
1.25Å resolution

Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat

Released:
DOI: 10.2210/pdb1zua/pdb
PDB entry 1zua coloured by chain, front view.
PDB entry 1zua coloured by chain, side view.
PDB entry 1zua coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10.
Gallego O, Ruiz FX, Ardèvol A, Domínguez M, Alvarez R, de Lera AR, Rovira C, Farrés J, Fita I, Parés X
Proc Natl Acad Sci U S A 104 20764-9 (2007)
PMID: 18087047

Function and Biology Details

Reactions catalysed: 
All-trans-retinol + NADP(+) = all-trans-retinal + NADPH
Allyl alcohol + NADP(+) = acrolein + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129914 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B10 Chain: X
Molecule details ›
Chain: X
Length: 317 amino acids
Theoretical weight: 36.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: O60218 (Residues: 1-316; Coverage: 100%)
Gene names: AKR1B10, AKR1B11
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
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P61
Unit cell:
a: 89.113Å b: 89.113Å c: 78.433Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.131 0.13 0.156
Expression system: Escherichia coli BL21

Quick links

Citations

16 review citations

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

20 mentions without citation

Aldo-Keto Reductase Family 1 Member B10 Inhibitors: Potential Drugs for Cancer Treatment.
Huang et al. (2016)
19 more