› 4gqg

X-ray diffraction
1.92Å resolution

Crystal structure of AKR1B10 complexed with NADP+

Released:
DOI: 10.2210/pdb4gqg/pdb
PDB entry 4gqg coloured by chain, front view.
PDB entry 4gqg coloured by chain, side view.
PDB entry 4gqg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: role of Trp112 (Trp111).
Zhang L, Zhang H, Zhao Y, Li Z, Chen S, Zhai J, Chen Y, Xie W, Wang Z, Li Q, Zheng X, Hu X
FEBS Lett 587 3681-6 (2013)
PMID: 24100137

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: 318 amino acids
Theoretical weight: 36.3 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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
No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P61
Unit cell:
a: 89.444Å b: 89.444Å c: 78.089Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.181 0.243
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Thiazolidine-2,4-dione derivatives: programmed chemical weapons for key protein targets of various pathological conditions.
Chadha et al. (2015)
2 more

4 mentions without citation

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