4x0t

X-ray diffraction
2.4Å resolution

Structure ALDH7A1 inactivated by 4-diethylaminobenzaldehyde and complexed with NAD+

Released:
Source organism: Homo sapiens
Primary publication:
Diethylaminobenzaldehyde is a covalent, irreversible inactivator of ALDH7A1.
ACS Chem Biol 10 693-7 (2015)
PMID: 25554827

Function and Biology Details

Reactions catalysed:
An aldehyde + NAD(+) + H(2)O = a carboxylate + NADH
(1a) (S)-2-amino-6-oxohexanoate = (S)-2,3,4,5-tetrahydropyridine-2-carboxylate + H(2)O (spontaneous)
Betaine aldehyde + NAD(+) + H(2)O = betaine + NADH

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
PDBe Complex ID:
PDB-CPX-155949 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-aminoadipic semialdehyde dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 513 amino acids
Theoretical weight: 55.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P49419 (Residues: 29-539; Coverage: 95%)
Gene names: ALDH7A1, ATQ1
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: I422
Unit cell:
a: 160.263Å b: 160.263Å c: 320.482Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.18 0.235
Expression system: Escherichia coli BL21(DE3)