› 4gq0

X-ray diffraction
2.1Å resolution

Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester

Released:
DOI: 10.2210/pdb4gq0/pdb
PDB entry 4gq0 coloured by chain, front view.
PDB entry 4gq0 coloured by chain, side view.
PDB entry 4gq0 coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Liping Z, Xuehua Z, Shangke C, Jing Z, Xiaopeng H

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
1 bound ligand:
Ligand QAP 1 x QAP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION ENHANCE ULTRA
Spacegroup: P61
Unit cell:
a: 90.593Å b: 90.593Å c: 78.372Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.178 0.174 0.225
Expression system: Escherichia coli

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