› 1het

X-ray diffraction
1.15Å resolution

atomic X-ray structure of liver alcohol dehydrogenase containing a hydroxide adduct to NADH

Released:
DOI: 10.2210/pdb1het/pdb
PDB entry 1het coloured by chain, front view.
PDB entry 1het coloured by chain, side view.
PDB entry 1het coloured by chain, top view.
Source organism: Equus caballus
Primary publication:
On the enzymatic activation of NADH.
Meijers R, Morris RJ, Adolph HW, Merli A, Lamzin VS, Cedergren-Zeppezauer ES
J Biol Chem 276 9316-21 (2001)
PMID: 11134046

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: 39.85 KDa
Source organism: Equus caballus
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 MRD 3 x MRD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P1
Unit cell:
a: 51.1Å b: 44.4Å c: 94Å
α: 104.6° β: 101.5° γ: 70.5°
R-values:
R R work R free
0.123 0.118 0.135

Quick links

Citations

4 review citations

Kinetic and structural features of betaine aldehyde dehydrogenases: mechanistic and regulatory implications.
Muñoz-Clares et al. (2010)
3 more

9 mentions without citation

A structurally conserved water molecule in Rossmann dinucleotide-binding domains.
Bottoms et al. (2002)
8 more