› 1a71

X-ray diffraction
2Å resolution

TERNARY COMPLEX OF AN ACTIVE SITE DOUBLE MUTANT OF HORSE LIVER ALCOHOL DEHYDROGENASE, PHE93=>TRP, VAL203=>ALA WITH NAD AND TRIFLUOROETHANOL

Released:
DOI: 10.2210/pdb1a71/pdb
PDB entry 1a71 coloured by chain, front view.
PDB entry 1a71 coloured by chain, side view.
PDB entry 1a71 coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
Active site modifications in a double mutant of liver alcohol dehydrogenase: structural studies of two enzyme-ligand complexes.
Colby TD, Bahnson BJ, Chin JK, Klinman JP, Goldstein BM
Biochemistry 37 9295-304 (1998)
PMID: 9649310

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: 39.86 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: 50.6Å b: 44.1Å c: 92.6Å
α: 103° β: 87.9° γ: 70.7°
R-values:
R R work R free
0.199 0.199 0.288
Expression system: Escherichia coli

Quick links

Citations

9 review citations

Aldehyde dehydrogenase inhibitors: a comprehensive review of the pharmacology, mechanism of action, substrate specificity, and clinical application.
Koppaka et al. (2012)
8 more

7 mentions without citation

From residue coevolution to protein conformational ensembles and functional dynamics.
Sutto et al. (2015)
6 more