› 2vle

X-ray diffraction
2.4Å resolution

The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase

Released:
DOI: 10.2210/pdb2vle/pdb
PDB entry 2vle coloured by chain, front view.
PDB entry 2vle coloured by chain, side view.
PDB entry 2vle coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase.
Lowe ED, Gao GY, Johnson LN, Keung WM
J Med Chem 51 4482-7 (2008)
PMID: 18613661

Function and Biology Details

Reaction catalysed: 
An aldehyde + NAD(+) + H(2)O = a carboxylate + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138420 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase, mitochondrial Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 494 amino acids
Theoretical weight: 53.97 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05091 (Residues: 24-517; Coverage: 96%)
Gene names: ALDH2, ALDM
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand DZN 8 x DZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 142.77Å b: 150.99Å c: 176.99Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 0.25
Expression system: Escherichia coli BL21(DE3)

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Citations

7 review citations

Targeting aldehyde dehydrogenase 2: new therapeutic opportunities.
Chen et al. (2014)
6 more

11 mentions without citation

Protective effects of isoflavones on alcoholic liver diseases: Computational approaches to investigate the inhibition of ALDH2 with isoflavone analogues.
Lee et al. (2023)
10 more