› 1axg

X-ray diffraction
2.5Å resolution

CRYSTAL STRUCTURE OF THE VAL203->ALA MUTANT OF LIVER ALCOHOL DEHYDROGENASE COMPLEXED WITH COFACTOR NAD AND INHIBITOR TRIFLUOROETHANOL SOLVED TO 2.5 ANGSTROM RESOLUTION

Released:
DOI: 10.2210/pdb1axg/pdb
PDB entry 1axg coloured by chain, front view.
PDB entry 1axg coloured by chain, side view.
PDB entry 1axg coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
A link between protein structure and enzyme catalyzed hydrogen tunneling.
Bahnson BJ, Colby TD, Chin JK, Goldstein BM, Klinman JP
Proc Natl Acad Sci U S A 94 12797-802 (1997)
PMID: 9371755

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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132405 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Alcohol dehydrogenase E chain Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 374 amino acids
Theoretical weight: 39.83 KDa
Source organism: Equus caballus
Expression system: Escherichia coli
UniProt:
  • Canonical: P00327 (Residues: 2-375; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments


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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P1
Unit cell:
a: 44.348Å b: 86.734Å c: 90.635Å
α: 102.66° β: 99.24° γ: 101.63°
R-values:
R R work R free
0.214 0.214 0.294
Expression system: Escherichia coli

Quick links

Citations

15 review citations

Relating protein motion to catalysis.
Hammes-Schiffer et al. (2006)
14 more

3 mentions without citation

A link between protein structure and enzyme catalyzed hydrogen tunneling.
Bahnson et al. (1997)
2 more