› 1f8f

X-ray diffraction
2.2Å resolution

CRYSTAL STRUCTURE OF BENZYL ALCOHOL DEHYDROGENASE FROM ACINETOBACTER CALCOACETICUS

Released:
DOI: 10.2210/pdb1f8f/pdb
PDB entry 1f8f coloured by chain, front view.
PDB entry 1f8f coloured by chain, side view.
PDB entry 1f8f coloured by chain, top view.
Source organism: Acinetobacter calcoaceticus
Entry authors: Beauchamp JC, Gillooly D, Warwicker J, Fewson CA, Lapthorn AJ

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176777 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
alcohol dehydrogenase Chain: A
Molecule details ›
Chain: A
Length: 371 amino acids
Theoretical weight: 39 KDa
Source organism: Acinetobacter calcoaceticus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q59096 (Residues: 1-371; Coverage: 100%)
Gene name: xylB
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
3 bound ligands:
Ligand ZN 2 x ZN
Ligand SO4 2 x SO4
Ligand EOH 1 x EOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX7.2
Spacegroup: I222
Unit cell:
a: 82.294Å b: 96.985Å c: 103.909Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.197 0.263
Expression system: Escherichia coli

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