› 1bxz

X-ray diffraction
2.99Å resolution

CRYSTAL STRUCTURE OF A THERMOPHILIC ALCOHOL DEHYDROGENASE SUBSTRATE COMPLEX FROM THERMOANAEROBACTER BROCKII

Released:
DOI: 10.2210/pdb1bxz/pdb
PDB entry 1bxz coloured by chain, front view.
PDB entry 1bxz coloured by chain, side view.
PDB entry 1bxz coloured by chain, top view.
Source organism: Thermoanaerobacter brockii
Primary publication:
Crystal structure of a thermophilic alcohol dehydrogenase substrate complex suggests determinants of substrate specificity and thermostability.
Li C, Heatwole J, Soelaiman S, Shoham M
Proteins 37 619-27 (1999)
PMID: 10651277

Function and Biology Details

Reaction catalysed: 
Propan-2-ol + NADP(+) = acetone + NADPH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147162 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
NADP-dependent isopropanol dehydrogenase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 352 amino acids
Theoretical weight: 37.69 KDa
Source organism: Thermoanaerobacter brockii
Expression system: Escherichia coli
UniProt:
  • Canonical: P14941 (Residues: 1-352; Coverage: 100%)
Gene name: adh
Sequence domains:
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand ZN 4 x ZN
Ligand CL 4 x CL
Ligand MG 4 x MG
Ligand SBT 4 x SBT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: CHESS BEAMLINE A1
Spacegroup: P212121
Unit cell:
a: 80.45Å b: 123.08Å c: 168.03Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.214 0.264
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Hyperthermophilic enzymes: sources, uses, and molecular mechanisms for thermostability.
Vieille et al. (2001)
4 more

5 mentions without citation

Construction of a synthetic metabolic pathway for biosynthesis of the non-natural methionine precursor 2,4-dihydroxybutyric acid.
Walther et al. (2017)
4 more