6v0z

X-ray diffraction
2.02Å resolution

Structure of ALDH7A1 mutant R441C complexed with NAD

Released:
Source organism: Homo sapiens
Entry authors: Korasick DA, Tanner JJ

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alpha-aminoadipic semialdehyde dehydrogenase Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 513 amino acids
Theoretical weight: 55.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49419 (Residues: 29-539; Coverage: 95%)
Gene names: ALDH7A1, ATQ1
Sequence domains: Aldehyde dehydrogenase family

Ligands and Environments


Cofactor: Ligand NAD 8 x NAD
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 4.2.2
Spacegroup: C2
Unit cell:
a: 154.964Å b: 161.647Å c: 158.542Å
α: 90° β: 94.45° γ: 90°
R-values:
R R work R free
0.196 0.194 0.249
Expression system: Escherichia coli