› 4ng5

X-ray diffraction
1.1Å resolution

V203A horse liver alcohol dehydrogenase E complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol

Released:
DOI: 10.2210/pdb4ng5/pdb
PDB entry 4ng5 coloured by chain, front view.
PDB entry 4ng5 coloured by chain, side view.
PDB entry 4ng5 coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
Effects of cavities at the nicotinamide binding site of liver alcohol dehydrogenase on structure, dynamics and catalysis.
Yahashiri A, Rubach JK, Plapp BV
Biochemistry 53 881-94 (2014)
PMID: 24437493

Function and Biology Details

Reaction catalysed: 
A primary alcohol + NAD(+) = an aldehyde + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence 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: 39.83 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 NAJ 2 x NAJ
3 bound ligands:
Ligand ZN 4 x ZN
Ligand PFB 2 x PFB
Ligand MRD 4 x MRD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P1
Unit cell:
a: 44.52Å b: 51.56Å c: 92.55Å
α: 91.8° β: 103.05° γ: 110.3°
R-values:
R R work R free
0.12 0.12 0.137
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Toxicology and the biological role of methanol and ethanol: Current view.
Pohanka M. (2016)
1 more

1 mention without citation

Effects of cavities at the nicotinamide binding site of liver alcohol dehydrogenase on structure, dynamics and catalysis.
Yahashiri et al. (2014)