› 5liw

X-ray diffraction
1.75Å resolution

Crystal structure of human AKR1B10 complexed with NADP+ and the inhibitor MK319

Released:
DOI: 10.2210/pdb5liw/pdb
PDB entry 5liw coloured by chain, front view.
PDB entry 5liw coloured by chain, side view.
PDB entry 5liw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
IDD388 Polyhalogenated Derivatives as Probes for an Improved Structure-Based Selectivity of AKR1B10 Inhibitors.
Cousido-Siah A, Ruiz FX, Fanfrlík J, Giménez-Dejoz J, Mitschler A, Kamlar M, Veselý J, Ajani H, Parés X, Farrés J, Hobza P, Podjarny AD
ACS Chem Biol 11 2693-2705 (2016)
PMID: 27359042

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: 36.3 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
2 bound ligands:
Ligand 1WX 2 x 1WX
Ligand EDO 1 x EDO
2 modified residues:
Ligand MLY 5 x MLY
Ligand MLZ 4 x MLZ

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P31
Unit cell:
a: 79.585Å b: 79.585Å c: 49.854Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.179 0.178 0.209
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Diagnostic and Prognostic Potential of AKR1B10 in Human Hepatocellular Carcinoma.
DiStefano et al. (2019)
1 more

1 mention without citation

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