Magnesium in the structure of Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase With Bound Xylitol 5-Phosphate (pdb 1q6q)

The binding sites of Magnesium atom in the structure of Structure of 3-Keto-L-Gulonate 6-Phosphate Decarboxylase With Bound Xylitol 5-Phosphate (pdb code 1q6q). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1q6q structure was solved by E.L.WISE, W.S.YEW, J.A.GERLT, I.RAYMENT, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 91.3-1.7 Space group C121 a (A) 123.182 b (A) 41.727 c (A) 92.125 alpha (°) 90.00 beta (°) 95.87 gamma (°) 90.00 Rfactor (%) 17.2 Rfree (%) 20.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1q6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1q6q. 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: Ala9, A: Asp11, A: Glu33, A: Gly35, A: Thr36, A: Asp62, A: Lys64, A: His136, A: Lxp7301, A: Hoh7376, A: Hoh7377, A: Hoh7385, A: Hoh7387, A: Hoh7513, conact list: Atom Atom Distance (A) Mg CB A:Ala9 4.66 Mg OD2 A:Asp11 4.23 Mg OD1 A:Asp11 4.12 Mg CG A:Asp11 4.65 Mg OE1 A:Glu33 3.51 Mg OE2 A:Glu33 2.04 Mg CD A:Glu33 3.09 Mg CG A:Glu33 4.39 Mg CA A:Gly35 4.49 Mg N A:Thr36 4.60 Mg OG1 A:Thr36 4.39 Mg CB A:Asp62 3.72 Mg OD2 A:Asp62 2.02 Mg OD1 A:Asp62 4.12 Mg CG A:Asp62 3.08 Mg NZ A:Lys64 4.14 Mg NE2 A:His136 4.43 Mg C1 A:Lxp7301 3.91 Mg O1 A:Lxp7301 4.43 Mg O3 A:Lxp7301 2.17 Mg C2 A:Lxp7301 3.11 Mg C5 A:Lxp7301 4.73 Mg O2 A:Lxp7301 2.19 Mg C4 A:Lxp7301 4.03 Mg C3 A:Lxp7301 3.15 Mg O4 A:Lxp7301 3.75 Mg O A:Hoh7376 2.11 Mg O A:Hoh7377 4.09 Mg O A:Hoh7385 4.96 Mg O A:Hoh7387 4.92 Mg O A:Hoh7513 2.14 interactive model: Magnesium binding site 2 out of 2 in 1q6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1q6q. 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: B: Ala9, B: Asp11, B: Glu33, B: Gly35, B: Thr36, B: Asp62, B: Lys64, B: His136, B: Lxp9301, B: Hoh9390, B: Hoh9392, B: Hoh9499, conact list: Atom Atom Distance (A) Mg CB B:Ala9 4.60 Mg OD2 B:Asp11 4.17 Mg OD1 B:Asp11 4.20 Mg CG B:Asp11 4.65 Mg OE1 B:Glu33 3.44 Mg OE2 B:Glu33 2.02 Mg CD B:Glu33 3.04 Mg CG B:Glu33 4.38 Mg CA B:Gly35 4.64 Mg N B:Thr36 4.66 Mg OG1 B:Thr36 4.32 Mg CB B:Asp62 3.76 Mg OD2 B:Asp62 2.09 Mg OD1 B:Asp62 4.23 Mg CG B:Asp62 3.18 Mg NZ B:Lys64 4.10 Mg NE2 B:His136 4.37 Mg C1 B:Lxp9301 3.82 Mg O1 B:Lxp9301 4.38 Mg O3 B:Lxp9301 2.09 Mg C2 B:Lxp9301 3.08 Mg C5 B:Lxp9301 4.62 Mg O2 B:Lxp9301 2.15 Mg C4 B:Lxp9301 3.87 Mg C3 B:Lxp9301 3.06 Mg O4 B:Lxp9301 3.67 Mg O B:Hoh9390 2.10 Mg O B:Hoh9392 4.18 Mg O B:Hoh9499 2.09 interactive model: