› 7f3p

X-ray diffraction
2.6Å resolution

Crystal structure of a nadp-dependent alcohol dehydrogenase mutant in apo form

Released:
DOI: 10.2210/pdb7f3p/pdb
PDB entry 7f3p coloured by chain, front view.
PDB entry 7f3p coloured by chain, side view.
PDB entry 7f3p coloured by chain, top view.
Source organism: Thermoanaerobacter brockii
Primary publication:
Unlocking the Stereoselectivity and Substrate Acceptance of Enzymes: Proline-Induced Loop Engineering Test.
Qu G, Bi Y, Liu B, Li J, Han X, Liu W, Jiang Y, Qin Z, Sun Z
Angew Chem Int Ed Engl 61 e202110793 (2022)
PMID: 34658118

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 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: 358 amino acids
Theoretical weight: 38.51 KDa
Source organism: Thermoanaerobacter brockii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14941 (Residues: 1-352; Coverage: 100%)
Gene name: adh
Sequence domains:

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand ZN 4 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL18U1
Spacegroup: P212121
Unit cell:
a: 79.848Å b: 132.713Å c: 135.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.181 0.237
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Rational design of enzyme activity and enantioselectivity.
Song et al. (2023)
2 more