Magnesium in PDB 4ure: Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1

All present enzymatic activity of Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1:
1.1.1.311;

The structure of Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1, PDB code: 4ure was solved by I.Buesing, H.W.Hoeffken, M.Breuer, L.Woehlbrand, B.Hauer, R.Rabus, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.76 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	121.500, 55.100, 86.300, 90.00, 134.40, 90.00
R / Rfree (%)	13.2 / 20.2

The binding sites of Magnesium atom in the Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1 (pdb code 4ure). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1, PDB code: 4ure:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1250 b:12.6 occ:0.50 OXT A:ARG248 2.0 12.0 1.0 O A:HOH2199 2.1 15.3 0.5 O A:HOH2194 2.1 13.2 1.0 O A:HOH2196 2.1 12.6 0.5 C A:ARG248 3.1 12.6 1.0 O A:ARG248 3.4 14.4 1.0 O A:HOH2200 4.3 19.6 1.0 O A:HOH2197 4.4 24.5 1.0 CA A:ARG248 4.4 11.6 1.0 O A:TYR245 4.5 12.7 1.0 O A:LEU246 4.6 14.2 1.0 CG A:ARG248 4.7 14.1 1.0 N A:ARG248 4.7 12.1 1.0 CG2 A:ILE147 4.7 12.6 1.0 C A:LEU246 4.9 12.2 1.0

Magnesium binding site 2 out of 2 in the Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Molecular Genetic and Crystal Structural Analysis of 1-(4- Hydroxyphenyl)-Ethanol Dehydrogenase From Aromatoleum Aromaticum EBN1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1251 b:8.9 occ:0.50 OXT B:ARG248 1.8 10.9 1.0 O B:HOH2160 2.0 12.4 1.0 O B:HOH2162 2.1 11.4 0.5 O B:HOH2164 2.2 12.2 0.5 C B:ARG248 2.9 12.5 1.0 O B:ARG248 3.3 11.1 1.0 CA B:ARG248 4.2 12.5 1.0 O B:TYR245 4.2 11.8 1.0 O B:HOH2163 4.3 23.3 1.0 O B:LEU246 4.3 12.0 1.0 N B:ARG248 4.4 11.4 1.0 CG B:ARG248 4.4 15.3 1.0 O B:HOH2165 4.4 17.5 1.0 C B:LEU246 4.6 10.5 1.0 CG2 B:ILE147 4.7 13.2 1.0 CB B:ARG248 4.9 13.1 1.0 CA B:LEU246 4.9 8.8 1.0 O B:HOH2147 4.9 14.0 1.0

I.Busing, H.W.Hoffken, M.Breuer, L.Wohlbrand, B.Hauer, R.Rabus. Molecular Genetic and Crystal Structural Analysis of 1-(4-Hydroxyphenyl)-Ethanol Dehydrogenase From 'Aromatoleum Aromaticum' EBN1. J.Mol.Microbiol.Biotechnol. V. 25 327 2015.
ISSN: ISSN 1464-1801
PubMed: 26488297
DOI: 10.1159/000439113