4h80

X-ray diffraction
2.5Å resolution

Crystal structure of human ALDH3A1 with its isozyme selective inhibitor - N-[4-(4-methylsulfonyl-2-nitroanilino)phenyl]acetamide

Released:
Source organism: Homo sapiens
Entry authors: Hurley TD, Parajuli B

Function and Biology Details

Structure analysis Details

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

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P1
Unit cell:
a: 89.106Å b: 95.38Å c: 117.228Å
α: 112.38° β: 91.68° γ: 90.99°
R-values:
R R work R free
0.235 0.234 0.255
Expression system: Escherichia coli