› 2xaa

X-ray diffraction
2.8Å resolution

Alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541 at pH 8.5 in complex with NAD and butane-1,4-diol

Released:
DOI: 10.2210/pdb2xaa/pdb
PDB entry 2xaa coloured by chain, front view.
PDB entry 2xaa coloured by chain, side view.
PDB entry 2xaa coloured by chain, top view.
Source organism: Rhodococcus ruber
Primary publication:
Structural insights into substrate specificity and solvent tolerance in alcohol dehydrogenase ADH-'A' from Rhodococcus ruber DSM 44541.
Karabec M, Łyskowski A, Tauber KC, Steinkellner G, Kroutil W, Grogan G, Gruber K
Chem Commun (Camb) 46 6314-6 (2010)
PMID: 20676439

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
homo tetramer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-185158 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
alcohol dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 345 amino acids
Theoretical weight: 35.22 KDa
Source organism: Rhodococcus ruber
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8KLT9 (Residues: 1-345; Coverage: 100%)
Gene names: RHRU231_470141, sadh
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 4 x NAD
2 bound ligands:
Ligand ZN 8 x ZN
Ligand BU1 3 x BU1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 65.674Å b: 105.1Å c: 109.176Å
α: 90° β: 91.27° γ: 90°
R-values:
R R work R free
0.192 0.188 0.258
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Preparation of pharmaceutical important fluorinated 1-arylethanols using isolated enzymes.
Hoff et al. (2013)
1 more

5 mentions without citation

Characterization of a (2R,3R)-2,3-Butanediol Dehydrogenase from Rhodococcus erythropolis WZ010.
Yu et al. (2015)
4 more