› 5m2f

X-ray diffraction
1.5Å resolution

Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008

Released:
DOI: 10.2210/pdb5m2f/pdb
PDB entry 5m2f coloured by chain, front view.
PDB entry 5m2f coloured by chain, side view.
PDB entry 5m2f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008.
Ruiz FX, Crespo I, Álvarez S, Porté S, Giménez-Dejoz J, Cousido-Siah A, Mitschler A, de Lera ÁR, Parés X, Podjarny A, Farrés J
Chem Biol Interact 276 174-181 (2017)
PMID: 28161411

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: 316 amino acids
Theoretical weight: 36.45 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
2 bound ligands:
Ligand UV8 1 x UV8
Ligand EDO 1 x EDO
2 modified residues:
Ligand MLZ 9 x MLZ
Ligand MLY 8 x MLY

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P31
Unit cell:
a: 79.475Å b: 79.475Å c: 49.823Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.212 0.21 0.241
Expression system: Escherichia coli

Quick links

Citations

2 mentions without citation

Perspective on the Structural Basis for Human Aldo-Keto Reductase 1B10 Inhibition.
Ruiz et al. (2021)
1 more