› 5tei

X-ray diffraction
2.1Å resolution

Structure of human ALDH1A1 with inhibitor CM039

Released:
DOI: 10.2210/pdb5tei/pdb
PDB entry 5tei coloured by chain, front view.
PDB entry 5tei coloured by chain, side view.
PDB entry 5tei coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Morgan CA, Hurley TD

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

Ligands and Environments


Cofactor: Ligand NAI 1 x NAI
3 bound ligands:
Ligand YB 2 x YB
Ligand M39 1 x M39
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P422
Unit cell:
a: 108.818Å b: 108.818Å c: 82.954Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.227
Expression system: Escherichia coli

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