› 4wj9

X-ray diffraction
1.74Å resolution

Structure of Human apo ALDH1A1

Released:
DOI: 10.2210/pdb4wj9/pdb
PDB entry 4wj9 coloured by chain, front view.
PDB entry 4wj9 coloured by chain, side view.
PDB entry 4wj9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of a high-throughput in vitro assay to identify selective inhibitors for human ALDH1A1.
Morgan CA, Hurley TD
Chem Biol Interact 234 29-37 (2015)
PMID: 25450233

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
UniProt:
  • Canonical: P00352 (Residues: 1-501; Coverage: 100%)
Gene names: ALDC, ALDH1, ALDH1A1, PUMB1
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand YB 1 x YB
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P422
Unit cell:
a: 109.297Å b: 109.297Å c: 83.236Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.185 0.216
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Targeting Aldehyde Dehydrogenases to Eliminate Cancer Stem Cells in Gynecologic Malignancies.
Muralikrishnan et al. (2020)
4 more

9 mentions without citation

Elevated PDK1 Expression Drives PI3K/AKT/MTOR Signaling Promotes Radiation-Resistant and Dedifferentiated Phenotype of Hepatocellular Carcinoma.
Bamodu et al. (2020)
8 more