› 4eex

X-ray diffraction
2.2Å resolution

Crystal Structure of Lactococcus lactis Alcohol Dehydrogenase

Released:
DOI: 10.2210/pdb4eex/pdb
PDB entry 4eex coloured by chain, front view.
PDB entry 4eex coloured by chain, side view.
PDB entry 4eex coloured by chain, top view.
Source organism: Lactococcus lactis subsp. lactis KF147
Primary publication:
Structure-guided engineering of Lactococcus lactis alcohol dehydrogenase LlAdhA for improved conversion of isobutyraldehyde to isobutanol.
Liu X, Bastian S, Snow CD, Brustad EM, Saleski TE, Xu JH, Meinhold P, Arnold FH
J Biotechnol 164 188-95 (2012)
PMID: 22974724

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-112345 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alcohol dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 348 amino acids
Theoretical weight: 36.89 KDa
Source organism: Lactococcus lactis subsp. lactis KF147
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: D2BLA0 (Residues: 1-340; Coverage: 100%)
Gene names: LLKF_1981, adhA
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ZN 4 x ZN
Ligand PG4 1 x PG4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: C2221
Unit cell:
a: 123.464Å b: 126.456Å c: 94.352Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.178 0.236
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Cofactor engineering for advancing chemical biotechnology.
Wang et al. (2013)
1 more

2 mentions without citation

Mutations in adenine-binding pockets enhance catalytic properties of NAD(P)H-dependent enzymes.
Cahn et al. (2016)
1 more