› 2ivf

X-ray diffraction
1.88Å resolution

Ethylbenzene dehydrogenase from Aromatoleum aromaticum

Released:
DOI: 10.2210/pdb2ivf/pdb
PDB entry 2ivf coloured by chain, front view.
PDB entry 2ivf coloured by chain, side view.
PDB entry 2ivf coloured by chain, top view.
Source organism: Aromatoleum aromaticum EbN1
Primary publication:
Crystal structure of ethylbenzene dehydrogenase from Aromatoleum aromaticum.
Kloer DP, Hagel C, Heider J, Schulz GE
Structure 14 1377-88 (2006)
PMID: 16962969

Function and Biology Details

Reaction catalysed: 
Ethylbenzene + H(2)O + acceptor = (S)-1-phenylethanol + reduced acceptor
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-177741 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
4Fe-4S Mo/W bis-MGD-type domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 976 amino acids
Theoretical weight: 110.4 KDa
Source organism: Aromatoleum aromaticum EbN1
UniProt:
  • Canonical: Q5P5I0 (Residues: 1-976; Coverage: 100%)
Gene names: c1A65, ebdA
Sequence domains:
4Fe-4S ferredoxin-type domain-containing protein Chain: B
Molecule details ›
Chain: B
Length: 352 amino acids
Theoretical weight: 39.74 KDa
Source organism: Aromatoleum aromaticum EbN1
UniProt:
  • Canonical: Q5P5I1 (Residues: 1-352; Coverage: 100%)
Gene names: c1A63, ebdB
Cytochrome c-552/DMSO reductase-like haem-binding domain-containing protein Chain: C
Molecule details ›
Chain: C
Length: 214 amino acids
Theoretical weight: 23.09 KDa
Source organism: Aromatoleum aromaticum EbN1
UniProt:
  • Canonical: Q5P5I2 (Residues: 1-214; Coverage: 100%)
Gene names: c1A62, ebdC
Sequence domains: Ethylbenzene dehydrogenase
Structure domains: Immunoglobulin-like

Ligands and Environments


Cofactor: Ligand MGD 1 x MGD

Cofactor: Ligand HEM 1 x HEM
8 bound ligands:
Ligand MES 1 x MES
Ligand ACT 2 x ACT
Ligand GOL 8 x GOL
Ligand SF4 4 x SF4
Ligand MO 1 x MO
Ligand MD1 1 x MD1
Ligand PO4 1 x PO4
Ligand F3S 1 x F3S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 112.532Å b: 67.324Å c: 114.765Å
α: 90° β: 111.3° γ: 90°
R-values:
R R work R free
0.15 0.148 0.183

Quick links

Citations

18 review citations

Microbial degradation of aromatic compounds - from one strategy to four.
Fuchs et al. (2011)
17 more

11 mentions without citation

The mononuclear molybdenum enzymes.
Hille et al. (2014)
10 more