Magnesium in PDB 1ueh: E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate

All present enzymatic activity of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate:
2.5.1.31;

The structure of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate, PDB code: 1ueh was solved by S.-Y.Chang, T.-P.Ko, P.-H.Liang, A.H.-J.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.75 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.962, 67.422, 111.756, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 20.8

The binding sites of Magnesium atom in the E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate (pdb code 1ueh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate, PDB code: 1ueh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg701 b:19.2 occ:1.00 O A:HOH1206 2.0 27.8 1.0 O B:HOH1293 2.0 25.5 1.0 O A:HOH1205 2.1 27.6 1.0 OE2 B:GLU213 2.2 19.8 1.0 ND1 A:HIS199 2.2 23.3 1.0 O B:HOH1292 2.2 17.9 1.0 CE1 A:HIS199 2.9 21.9 1.0 CD B:GLU213 3.1 17.5 1.0 CG A:HIS199 3.3 18.7 1.0 OE1 B:GLU213 3.4 18.0 1.0 CB A:HIS199 3.8 12.5 1.0 N A:HIS199 3.9 9.9 1.0 O B:HOH922 4.0 15.3 1.0 O B:ALA235 4.0 20.4 1.0 NE2 A:HIS199 4.1 20.7 1.0 O A:GLY197 4.2 13.9 1.0 O B:HOH1126 4.3 38.1 1.0 CD2 A:HIS199 4.3 20.0 1.0 O B:HOH1019 4.3 32.6 1.0 CA A:HIS199 4.5 12.0 1.0 CG B:GLU213 4.5 18.1 1.0 O A:HOH1173 4.6 51.1 1.0 OE1 A:GLU198 4.6 16.4 1.0 C A:GLU198 4.7 14.1 1.0 CA A:GLU198 4.7 12.1 1.0 C B:ALA235 4.8 18.9 1.0 CB B:ALA235 4.8 16.4 1.0 CA B:ARG239 4.9 26.1 1.0

Magnesium binding site 2 out of 2 in the E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E. Coli Undecaprenyl Pyrophosphate Synthase in Complex with Triton X- 100, Magnesium and Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg702 b:25.7 occ:1.00 O B:HOH1294 2.0 30.4 1.0 O A:HOH1208 2.1 28.3 1.0 O B:HOH1295 2.1 31.2 1.0 ND1 B:HIS199 2.2 27.2 1.0 OE2 A:GLU213 2.2 22.9 1.0 O A:HOH1207 2.3 21.4 1.0 CE1 B:HIS199 3.0 29.4 1.0 CD A:GLU213 3.2 21.8 1.0 CG B:HIS199 3.3 22.7 1.0 OE1 A:GLU213 3.4 16.5 1.0 CB B:HIS199 3.8 17.1 1.0 O A:HOH965 3.8 23.9 1.0 N B:HIS199 4.0 12.8 1.0 NE2 B:HIS199 4.2 24.8 1.0 O A:ALA235 4.2 20.1 1.0 CD2 B:HIS199 4.3 26.3 1.0 O B:GLY197 4.4 14.7 1.0 O A:HOH966 4.4 35.0 1.0 CA B:HIS199 4.5 13.9 1.0 CG A:GLU213 4.6 20.5 1.0 OE1 B:GLU198 4.7 21.0 1.0 C B:GLU198 4.8 13.7 1.0 CA A:ARG239 4.8 27.9 1.0 CA B:GLU198 4.8 13.8 1.0

S.-Y.Chang, T.-P.Ko, P.-H.Liang, A.H.-J.Wang. Catalytic Mechanism Revealed By the Crystal Structure of Undecaprenyl Pyrophosphate Synthase in Complex with Sulfate, Magnesium, and Triton J.Biol.Chem. V. 278 29298 2003.
ISSN: ISSN 0021-9258
PubMed: 12756244
DOI: 10.1074/JBC.M302687200