Magnesium in the structure of Saccharomyces Cerevisiae Glutamate Cysteine Ligase in Complex With MG2+, L-Glutamate and Adp (pdb 3ig8)

The binding sites of Magnesium atom in the structure of Saccharomyces Cerevisiae Glutamate Cysteine Ligase in Complex With MG2+, L-Glutamate and Adp (pdb code 3ig8). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3ig8 structure was solved by E.BITEROVA, J.J.BARYCKI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 33.9-2.7 Space group P43212 a (A) 117.849 b (A) 117.849 c (A) 164.444 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.7 Rfree (%) 24.2 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 3ig8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3ig8. 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: Glu50, A: Glu52, A: Glu96, A: Glu103, A: Gln268, A: Glu693, A: Adp694, A: Mg696, A: Mg697, A: Hoh705, A: Hoh808, conact list: Atom Atom Distance (A) Mg OE2 A:Glu50 3.93 Mg CD A:Glu50 4.81 Mg OE1 A:Glu52 4.30 Mg OE2 A:Glu52 2.19 Mg CD A:Glu52 3.27 Mg CG A:Glu52 3.84 Mg OE1 A:Glu96 4.27 Mg OE2 A:Glu96 2.22 Mg CD A:Glu96 3.27 Mg CG A:Glu96 3.85 Mg OE1 A:Glu103 2.18 Mg CB A:Glu103 4.86 Mg OE2 A:Glu103 3.70 Mg CD A:Glu103 3.20 Mg CG A:Glu103 4.35 Mg NE2 A:Gln268 4.70 Mg OE1 A:Gln268 3.69 Mg CD A:Gln268 4.46 Mg N A:Glu693 4.94 Mg OE1 A:Glu693 3.93 Mg CB A:Glu693 4.39 Mg OE2 A:Glu693 2.20 Mg CD A:Glu693 3.31 Mg CG A:Glu693 4.34 Mg O3B A:Adp694 4.82 Mg MG A:Mg696 4.78 Mg MG A:Mg697 3.38 Mg O A:Hoh705 3.67 Mg O A:Hoh808 3.67 interactive model: Magnesium binding site 2 out of 3 in 3ig8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3ig8. 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: Glu50, A: Gln268, A: Glu470, A: Arg472, A: Glu693, A: Adp694, A: Mg695, A: Mg697, A: Hoh704, A: Hoh798, A: Hoh805, conact list: Atom Atom Distance (A) Mg OE1 A:Glu50 2.17 Mg CB A:Glu50 4.60 Mg OE2 A:Glu50 2.78 Mg CD A:Glu50 2.74 Mg CG A:Glu50 4.17 Mg NE2 A:Gln268 3.44 Mg OE1 A:Gln268 2.18 Mg CB A:Gln268 4.06 Mg CD A:Gln268 2.90 Mg CG A:Gln268 4.01 Mg OE1 A:Glu470 3.67 Mg OE2 A:Glu470 2.17 Mg CD A:Glu470 3.24 Mg CG A:Glu470 4.52 Mg NH1 A:Arg472 4.19 Mg OE1 A:Glu693 4.52 Mg O3B A:Adp694 3.27 Mg O2A A:Adp694 4.55 Mg O1B A:Adp694 4.22 Mg PB A:Adp694 3.18 Mg O2B A:Adp694 2.17 Mg O3A A:Adp694 4.42 Mg MG A:Mg695 4.78 Mg MG A:Mg697 4.07 Mg O A:Hoh704 4.49 Mg O A:Hoh798 4.11 Mg O A:Hoh805 4.06 interactive model: Magnesium binding site 3 out of 3 in 3ig8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3ig8. 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: Glu50, A: His94, A: Glu96, A: Glu103, A: Gln268, A: Glu693, A: Adp694, A: Mg695, A: Mg696, A: Hoh808, conact list: Atom Atom Distance (A) Mg OE1 A:Glu50 4.37 Mg OE2 A:Glu50 2.21 Mg CD A:Glu50 3.48 Mg CG A:Glu50 4.34 Mg CD2 A:His94 4.57 Mg OE2 A:Glu96 4.16 Mg OE1 A:Glu103 3.09 Mg OE2 A:Glu103 2.18 Mg CD A:Glu103 2.97 Mg CG A:Glu103 4.40 Mg OE1 A:Gln268 4.57 Mg OE2 A:Glu693 4.67 Mg O3B A:Adp694 2.19 Mg PA A:Adp694 3.81 Mg O2A A:Adp694 2.69 Mg O1B A:Adp694 4.73 Mg PB A:Adp694 3.50 Mg O2B A:Adp694 4.13 Mg O3A A:Adp694 3.97 Mg O1A A:Adp694 4.68 Mg MG A:Mg695 3.38 Mg MG A:Mg696 4.07 Mg O A:Hoh808 2.93 interactive model: