› 7jwu

X-ray diffraction
1.9Å resolution

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132425 (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 BL21(DE3)
UniProt:
  • Canonical: P00352 (Residues: 1-501; Coverage: 100%)
Gene names: ALDC, ALDH1, ALDH1A1, PUMB1
Sequence domains: Aldehyde dehydrogenase family

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
3 bound ligands:
Ligand YB 2 x YB
Ligand CL 2 x CL
Ligand VMA 1 x VMA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P422
Unit cell:
a: 109.032Å b: 109.032Å c: 82.888Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.262
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Oxetanes in Drug Discovery Campaigns.
Rojas et al. (2023)
2 other articles

1 mention without citation

Development of 2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one inhibitors of aldehyde dehydrogenase 1A (ALDH1A) as potential adjuncts to ovarian cancer chemotherapy.
Huddle et al. (2021)