› 3inj

X-ray diffraction
1.69Å resolution

Human Mitochondrial Aldehyde Dehydrogenase complexed with agonist Alda-1

Released:
DOI: 10.2210/pdb3inj/pdb
PDB entry 3inj coloured by chain, front view.
PDB entry 3inj coloured by chain, side view.
PDB entry 3inj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Alda-1 is an agonist and chemical chaperone for the common human aldehyde dehydrogenase 2 variant.
Perez-Miller S, Younus H, Vanam R, Chen CH, Mochly-Rosen D, Hurley TD
Nat Struct Mol Biol 17 159-64 (2010)
PMID: 20062057

Function and Biology Details

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

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: 500 amino acids
Theoretical weight: 54.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P05091 (Residues: 18-517; Coverage: 97%)
Gene names: ALDH2, ALDM
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand NA 8 x NA
Ligand EDO 16 x EDO
Ligand GAI 9 x GAI
Ligand BXB 8 x BXB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P21
Unit cell:
a: 101.916Å b: 176.839Å c: 102.464Å
α: 90° β: 94.52° γ: 90°
R-values:
R R work R free
0.18 0.179 0.2
Expression system: Escherichia coli

Quick links

Citations

29 review citations

Aldehyde dehydrogenase inhibitors: a comprehensive review of the pharmacology, mechanism of action, substrate specificity, and clinical application.
Koppaka et al. (2012)
28 more

3 mentions without citation

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