Magnesium in the structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex With Triton X- 100, Magnesium and Sulfate (pdb 1ueh)

The binding sites of Magnesium atom in the structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex With Triton X- 100, Magnesium and Sulfate (pdb code 1ueh). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1ueh structure was solved by S.-Y.CHANG, T.-P.KO, P.-H.LIANG, A.H.-J.WANG, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.8-1.7 Space group P212121 a (A) 63.962 b (A) 67.422 c (A) 111.756 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 17.6 Rfree (%) 20.8 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1ueh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1ueh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Gly197, A: Glu198, A: His199, B: Glu213, B: Ala235, B: Arg239, A: Hoh1173, A: Hoh1205, A: Hoh1206, B: Hoh922, B: Hoh1019, B: Hoh1126, B: Hoh1292, B: Hoh1293, conact list: Atom Atom Distance (A) Mg O A:Gly197 4.19 Mg OE1 A:Glu198 4.65 Mg C A:Glu198 4.70 Mg CA A:Glu198 4.72 Mg NE2 A:His199 4.10 Mg N A:His199 3.93 Mg CB A:His199 3.78 Mg ND1 A:His199 2.19 Mg CD2 A:His199 4.26 Mg CE1 A:His199 2.95 Mg CG A:His199 3.27 Mg CA A:His199 4.50 Mg OE1 B:Glu213 3.38 Mg OE2 B:Glu213 2.17 Mg CD B:Glu213 3.11 Mg CG B:Glu213 4.54 Mg O B:Ala235 4.04 Mg C B:Ala235 4.78 Mg CB B:Ala235 4.84 Mg CA B:Arg239 4.90 Mg O A:Hoh1173 4.64 Mg O A:Hoh1205 2.06 Mg O A:Hoh1206 1.97 Mg O B:Hoh922 4.03 Mg O B:Hoh1019 4.34 Mg O B:Hoh1126 4.25 Mg O B:Hoh1292 2.25 Mg O B:Hoh1293 2.01 interactive model: Magnesium binding site 2 out of 2 in 1ueh Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1ueh. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Magnesium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu213, A: Ala235, A: Arg239, B: Gly197, B: Glu198, B: His199, A: Hoh965, A: Hoh966, A: Hoh1207, A: Hoh1208, B: Hoh1294, B: Hoh1295, conact list: Atom Atom Distance (A) Mg OE1 A:Glu213 3.45 Mg OE2 A:Glu213 2.21 Mg CD A:Glu213 3.16 Mg CG A:Glu213 4.56 Mg O A:Ala235 4.19 Mg CA A:Arg239 4.83 Mg O B:Gly197 4.37 Mg OE1 B:Glu198 4.73 Mg C B:Glu198 4.81 Mg CA B:Glu198 4.84 Mg NE2 B:His199 4.15 Mg N B:His199 3.98 Mg CB B:His199 3.81 Mg ND1 B:His199 2.19 Mg CD2 B:His199 4.34 Mg CE1 B:His199 2.96 Mg CG B:His199 3.32 Mg CA B:His199 4.55 Mg O A:Hoh965 3.83 Mg O A:Hoh966 4.37 Mg O A:Hoh1207 2.28 Mg O A:Hoh1208 2.06 Mg O B:Hoh1294 1.98 Mg O B:Hoh1295 2.07 interactive model: