› 3sza

X-ray diffraction
1.48Å resolution

Crystal structure of human ALDH3A1 - apo form

Released:
DOI: 10.2210/pdb3sza/pdb
PDB entry 3sza coloured by chain, front view.
PDB entry 3sza coloured by chain, side view.
PDB entry 3sza coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a novel class of covalent inhibitor for aldehyde dehydrogenases.
Khanna M, Chen CH, Kimble-Hill A, Parajuli B, Perez-Miller S, Baskaran S, Kim J, Dria K, Vasiliou V, Mochly-Rosen D, Hurley TD
J Biol Chem 286 43486-94 (2011)
PMID: 22021038

Function and Biology Details

Reaction catalysed: 
An aldehyde + NAD(P)(+) + H(2)O = a carboxylate + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151825 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldehyde dehydrogenase, dimeric NADP-preferring Chains: A, B
Molecule details ›
Chains: A, B
Length: 469 amino acids
Theoretical weight: 52.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P30838 (Residues: 1-453; Coverage: 100%)
Gene names: ALDH3, ALDH3A1
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand K 4 x K
Ligand ACT 2 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 61.412Å b: 86.08Å c: 170.396Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.165 0.187
Expression system: Escherichia coli BL21(DE3)

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Citations

6 review citations

Targeting aldehyde dehydrogenase 2: new therapeutic opportunities.
Chen et al. (2014)
5 more

18 mentions without citation

Aldehyde dehydrogenases: from eye crystallins to metabolic disease and cancer stem cells.
Vasiliou et al. (2013)
17 more