› 1axe

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF THE ACTIVE-SITE MUTANT PHE93->TRP OF HORSE LIVER ALCOHOL DEHYDROGENASE IN COMPLEX WITH NAD AND INHIBITOR TRIFLUOROETHANOL

Released:
DOI: 10.2210/pdb1axe/pdb
PDB entry 1axe coloured by chain, front view.
PDB entry 1axe coloured by chain, side view.
PDB entry 1axe 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
Molecule details ›
Chains: A, B
Length: 374 amino acids
Theoretical weight: 39.89 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 2 x NAD
2 bound ligands:
Ligand ZN 4 x ZN
Ligand ETF 2 x ETF
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P1
Unit cell:
a: 51.82Å b: 44.58Å c: 93.28Å
α: 103.1° β: 87.59° γ: 70.55°
R-values:
R R work R free
0.203 0.203 0.269
Expression system: Escherichia coli

Quick links

Citations

15 review citations

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

6 mentions without citation

Replisome dynamics and use of DNA trombone loops to bypass replication blocks.
Yao et al. (2008)
5 more