Molybdenum in PDB 2ivf: Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum

All present enzymatic activity of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum:
1.17.99.2;

The structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum, PDB code: 2ivf was solved by D.P.Kloer, C.Hagel, J.Heider, G.E.Schulz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.42 / 1.88
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	112.532, 67.324, 114.765, 90.00, 111.30, 90.00
R / Rfree (%)	14.8 / 18.3

The structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum also contains other interesting chemical elements:

Iron

(Fe)

20 atoms

The binding sites of Molybdenum atom in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum (pdb code 2ivf). This binding sites where shown within 5.0 Angstroms radius around Molybdenum atom.
In total only one binding site of Molybdenum was determined in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum, PDB code: 2ivf:

Molybdenum binding site 1 out of 1 in the Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum


Mono view


Stereo pair view

A full contact list of Molybdenum with other atoms in the Mo binding site number 1 of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum within 5.0Å range: probe atom residue distance (Å) B Occ A:Mo1985 b:19.3 occ:1.00 OD2 A:ASP223 2.0 25.6 1.0 O A:ACT1978 2.2 23.5 1.0 S13 A:MGD1986 2.3 14.8 1.0 S13 A:MD11987 2.4 15.3 1.0 S12 A:MGD1986 2.4 15.4 1.0 S12 A:MD11987 2.4 18.1 1.0 OXT A:ACT1978 2.9 28.1 1.0 C A:ACT1978 3.0 26.3 1.0 CG A:ASP223 3.0 24.4 1.0 OD1 A:ASP223 3.3 24.3 1.0 C13 A:MGD1986 3.3 14.6 1.0 C13 A:MD11987 3.3 16.6 1.0 C12 A:MGD1986 3.4 15.4 1.0 C12 A:MD11987 3.4 17.7 1.0 CE1 A:HIS849 3.6 24.2 1.0 CD1 A:ILE221 3.9 25.9 1.0 NE2 A:HIS849 4.3 25.3 1.0 CB A:ASP223 4.4 25.9 1.0 CH3 A:ACT1978 4.4 25.7 1.0 NE2 A:HIS192 4.4 23.2 1.0 CE1 A:HIS855 4.4 27.3 1.0 CG1 A:ILE221 4.5 25.2 1.0 ND1 A:HIS849 4.5 23.1 1.0 CB A:ILE221 4.7 24.2 1.0 C14 A:MD11987 4.7 17.5 1.0 C14 A:MGD1986 4.8 16.6 1.0 C11 A:MD11987 4.9 17.1 1.0 C11 A:MGD1986 4.9 13.3 1.0 NE2 A:HIS855 5.0 26.4 1.0

D.P.Kloer, C.Hagel, J.Heider, G.E.Schulz. Crystal Structure of Ethylbenzene Dehydrogenase From Aromatoleum Aromaticum Structure V. 14 1377 2006.
ISSN: ISSN 0969-2126
PubMed: 16962969
DOI: 10.1016/J.STR.2006.07.001