› 1o00

X-ray diffraction
2.6Å resolution

Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and Mg2+ showing dual NAD(H) conformations

Released:
DOI: 10.2210/pdb1o00/pdb
PDB entry 1o00 coloured by chain, front view.
PDB entry 1o00 coloured by chain, side view.
PDB entry 1o00 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Coenzyme isomerization is integral to catalysis in aldehyde dehydrogenase.
Perez-Miller SJ, Hurley TD
Biochemistry 42 7100-9 (2003)
PMID: 12795606

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: 500 amino acids
Theoretical weight: 54.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P05091 (Residues: 18-517; Coverage: 97%)
Gene names: ALDH2, ALDM
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 8 x NAD
2 bound ligands:
Ligand MG 8 x MG
Ligand NA 8 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 141.911Å b: 150.671Å c: 177.133Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.193 0.232
Expression system: Escherichia coli BL21

Quick links

Citations

10 review citations

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

11 mentions without citation

Crystal structure of human aldehyde dehydrogenase 1A3 complexed with NAD+ and retinoic acid.
Moretti et al. (2016)
10 more