PDBe 6b5i

X-ray diffraction
2.6Å resolution

ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121)


Function and Biology Details

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Retinal dehydrogenase 2 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 493 amino acids
Theoretical weight: 54.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: O94788 (Residues: 26-518; Coverage: 95%)
Gene names: ALDH1A2, RALDH2
Sequence domains: Aldehyde dehydrogenase family

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P212121
Unit cell:
a: 84.83Å b: 139.47Å c: 163.07Å
α: 90° β: 90° γ: 90°
R R work R free
0.223 0.222 0.277
Expression system: Escherichia coli BL21(DE3)