› 4urf

X-ray diffraction
1.1Å resolution

Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase from Aromatoleum aromaticum EbN1

Released:
DOI: 10.2210/pdb4urf/pdb
PDB entry 4urf coloured by chain, front view.
PDB entry 4urf coloured by chain, side view.
PDB entry 4urf coloured by chain, top view.
Source organism: Aromatoleum aromaticum EbN1
Primary publication:
Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase from 'Aromatoleum aromaticum' EbN1.
Büsing I, Höffken HW, Breuer M, Wöhlbrand L, Hauer B, Rabus R
J Mol Microbiol Biotechnol 25 327-39 (2015)
PMID: 26488297

Function and Biology Details

Reaction catalysed: 
(S)-1-phenylethanol + NAD(+) = acetophenone + NADH
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-561972 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclohexanol dehydrogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 248 amino acids
Theoretical weight: 26.23 KDa
Source organism: Aromatoleum aromaticum EbN1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5P8S7 (Residues: 1-248; Coverage: 100%)
Gene names: chnA, ebA307
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
4 bound ligands:
Ligand ACT 3 x ACT
Ligand 1PS 3 x 1PS
Ligand MG 5 x MG
Ligand BCT 2 x BCT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 121.5Å b: 55.1Å c: 86.3Å
α: 90° β: 134.4° γ: 90°
R-values:
R R work R free
0.11 0.109 0.133
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Structural insights into alcohol dehydrogenases catalyzing asymmetric reductions.
An et al. (2019)
7 other articles

1 mention without citation

Exploiting distant homologues for phasing through the generation of compact fragments, local fold refinement and partial solution combination.
Millán et al. (2018)