› 4gab

X-ray diffraction
1.6Å resolution

Human AKR1B10 mutant V301L complexed with NADP+ and fidarestat

Released:
DOI: 10.2210/pdb4gab/pdb
PDB entry 4gab coloured by chain, front view.
PDB entry 4gab coloured by chain, side view.
PDB entry 4gab coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structure of the V301L aldo-keto reductase 1B10 complexed with NADP(+) and the potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity.
Ruiz FX, Cousido-Siah A, Mitschler A, Farrés J, Parés X, Podjarny A
Chem Biol Interact 202 178-85 (2013)
PMID: 23295227

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: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 36.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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
2 bound ligands:
Ligand FID 1 x FID
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P61
Unit cell:
a: 89.022Å b: 89.022Å c: 78.22Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.176 0.175 0.194
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 citation in other articles

Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: role of Trp112 (Trp111).
Zhang et al. (2013)
7 more

2 mentions without citation

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