Magnesium in PDB 3vkc: Crystal Structure of MOEO5 Soaked with Pyrophosphate

The structure of Crystal Structure of MOEO5 Soaked with Pyrophosphate, PDB code: 3vkc was solved by F.Ren, T.-P.Ko, C.-H.Huang, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.66
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.735, 59.721, 59.062, 66.70, 71.15, 65.96
R / Rfree (%)	16.1 / 18.6

The binding sites of Magnesium atom in the Crystal Structure of MOEO5 Soaked with Pyrophosphate (pdb code 3vkc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of MOEO5 Soaked with Pyrophosphate, PDB code: 3vkc:

Magnesium binding site 1 out of 1 in the Crystal Structure of MOEO5 Soaked with Pyrophosphate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of MOEO5 Soaked with Pyrophosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg700 b:12.4 occ:1.00 O B:PHE140 2.4 12.0 1.0 O A:PHE140 2.4 12.9 1.0 O B:LEU137 2.5 9.0 1.0 O B:ALA138 2.5 11.7 1.0 O A:ALA138 2.5 12.4 1.0 O A:LEU137 2.5 10.6 1.0 C A:ALA138 3.1 13.2 1.0 C B:ALA138 3.2 11.7 1.0 CA A:ALA138 3.5 11.0 1.0 C B:PHE140 3.5 12.4 1.0 C A:PHE140 3.5 14.5 1.0 CA B:ALA138 3.5 11.2 1.0 C B:LEU137 3.6 10.4 1.0 C A:LEU137 3.6 11.1 1.0 N A:PHE140 3.8 12.4 1.0 N B:PHE140 3.8 11.3 1.0 N A:ALA138 4.0 10.9 1.0 N B:ALA138 4.1 9.9 1.0 CA B:PHE140 4.1 10.2 1.0 CA A:PHE140 4.1 12.6 1.0 N A:ALA139 4.1 11.8 1.0 O A:HOH302 4.1 30.6 1.0 N B:ALA139 4.1 11.2 1.0 O A:HOH303 4.2 34.7 1.0 CB A:PHE140 4.2 12.0 1.0 CB B:PHE140 4.2 9.6 1.0 C B:ALA139 4.2 12.8 1.0 C A:ALA139 4.3 13.1 1.0 CD2 A:PHE140 4.3 12.5 1.0 CD2 B:PHE140 4.3 12.7 1.0 N B:PRO141 4.6 13.6 1.0 N A:PRO141 4.6 14.7 1.0 CA B:ALA139 4.7 13.2 1.0 CA A:ALA139 4.7 13.1 1.0 CG A:PHE140 4.8 11.3 1.0 CD B:PRO141 4.8 15.7 1.0 CG B:PHE140 4.8 11.2 1.0 CB A:ALA138 4.8 10.9 1.0 CD A:PRO141 4.8 16.6 1.0 O B:ALA139 4.9 15.6 1.0 CA B:LEU137 4.9 10.9 1.0 CB B:ALA138 4.9 11.4 1.0 CA A:LEU137 4.9 10.8 1.0 O A:ALA139 4.9 16.4 1.0

F.Ren, T.-P.Ko, X.Feng, C.-H.Huang, H.-C.Chan, Y.Hu, K.Wang, Y.Ma, P.-H.Liang, A.H.-J.Wang, E.Oldfield, R.-T.Guo. Insights Into the Mechanism of the Antibiotic-Synthesizing Enzyme MOEO5 From Crystal Structures of Different Complexes Angew.Chem.Int.Ed.Engl. V. 51 4157 2012.
ISSN: ISSN 1433-7851
PubMed: 22431288
DOI: 10.1002/ANIE.201108002