› 4i5x

X-ray diffraction
2.1Å resolution

Crystal Structure Of AKR1B10 Complexed With NADP+ And Flufenamic acid

Released:
DOI: 10.2210/pdb4i5x/pdb
PDB entry 4i5x coloured by chain, front view.
PDB entry 4i5x coloured by chain, side view.
PDB entry 4i5x 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: 36.28 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
1 bound ligand:
Ligand FLF 1 x FLF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P61
Unit cell:
a: 89.402Å b: 89.402Å c: 77.874Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.196 0.257
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