X-ray diffraction
2.6Å resolution

2.6 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) G234S mutant from Staphylococcus aureus (IDP00699) in complex with NAD+ and BME-free Cys289


Function and Biology Details

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Entry contents:
1 distinct polypeptide molecule
Aldehyde dehydrogenase domain-containing protein Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 517 amino acids
Theoretical weight: 57.15 KDa
Source organism: Staphylococcus aureus subsp. aureus COL
Expression system: Escherichia coli BL21
  • Canonical: A0A0H2X0S3 (Residues: 1-496; Coverage: 100%)
Gene names: SACOL2628, betB
Sequence domains: Aldehyde dehydrogenase family
Structure domains:

Ligands and Environments

Cofactor: Ligand NAD 8 x NAD
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 88.592Å b: 168.368Å c: 144.523Å
α: 90° β: 104.92° γ: 90°
R R work R free
0.186 0.184 0.219
Expression system: Escherichia coli BL21