› 4fqf

X-ray diffraction
2.28Å resolution

Crystal structure of a thionitrate intermediate of human aldehyde dehydrogenase-2

Released:
DOI: 10.2210/pdb4fqf/pdb
PDB entry 4fqf coloured by chain, front view.
PDB entry 4fqf coloured by chain, side view.
PDB entry 4fqf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Vascular bioactivation of nitroglycerin by aldehyde dehydrogenase-2: reaction intermediates revealed by crystallography and mass spectrometry.
Lang BS, Gorren AC, Oberdorfer G, Wenzl MV, Furdui CM, Poole LB, Mayer B, Gruber K
J Biol Chem 287 38124-34 (2012)
PMID: 22988236

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
Molecule details ›
Chains: A, B, C, D
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


Cofactor: Ligand NAD 4 x NAD
4 bound ligands:
Ligand 2NO 4 x 2NO
Ligand MG 4 x MG
Ligand URE 6 x URE
Ligand NA 4 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X13
Spacegroup: C2221
Unit cell:
a: 136.862Å b: 148.431Å c: 176.005Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.209
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Organic Nitrate Therapy, Nitrate Tolerance, and Nitrate-Induced Endothelial Dysfunction: Emphasis on Redox Biology and Oxidative Stress.
Daiber et al. (2015)
6 more