4x4l

X-ray diffraction
1.85Å resolution

Structure of human ALDH1A1 with inhibitor CM037

Released:

Function and Biology Details

Reactions catalysed:
4-aminobutanal + NAD(+) + H(2)O = 4-aminobutanoate + NADH
An aldehyde + NAD(+) + H(2)O = a carboxylate + NADH
Benzaldehyde + NAD(+) + H(2)O = benzoate + NADH
Retinal + NAD(+) + H(2)O = retinoate + NADH
Cellular component:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase 1A1 Chain: A
Molecule details ›
Chain: A
Length: 501 amino acids
Theoretical weight: 54.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00352 (Residues: 1-501; Coverage: 100%)
Gene names: ALDC, ALDH1, ALDH1A1, PUMB1
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments


Cofactor: Ligand NAI 1 x NAI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P422
Unit cell:
a: 108.89Å b: 108.89Å c: 83.009Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.233
Expression system: Escherichia coli