Magnesium in the structure of Calcium Pump Crystal Structure With Bound ALF4, Tnp-Amp and Tg (pdb 3ar8)

The binding sites of Magnesium atom in the structure of Calcium Pump Crystal Structure With Bound ALF4, Tnp-Amp and Tg (pdb code 3ar8). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3ar8 structure was solved by C.TOYOSHIMA, S.YONEKURA, J.TSUEDA, S.IWASAWA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.6 Space group C121 a (A) 176.864 b (A) 69.873 c (A) 141.813 alpha (°) 90.00 beta (°) 106.71 gamma (°) 90.00 Rfactor (%) 22.6 Rfree (%) 25.3 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 3ar8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3ar8. 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: Gly182, A: Asp351, A: Lys352, A: Thr353, A: Gly354, A: Thr355, A: Asp703, A: Gly704, A: Asp707, A: Alf998, A: Hoh4001, A: Hoh4002, A: Hoh4003, conact list: Atom Atom Distance (A) Mg O A:Gly182 4.47 Mg CA A:Gly182 4.88 Mg CB A:Asp351 4.32 Mg OD2 A:Asp351 3.61 Mg OD1 A:Asp351 2.01 Mg CG A:Asp351 3.10 Mg C A:Lys352 4.87 Mg O A:Thr353 2.04 Mg N A:Thr353 4.29 Mg CB A:Thr353 4.28 Mg CG2 A:Thr353 4.83 Mg C A:Thr353 3.24 Mg CA A:Thr353 4.08 Mg N A:Gly354 4.24 Mg C A:Gly354 4.66 Mg CA A:Gly354 4.39 Mg N A:Thr355 4.54 Mg CB A:Thr355 4.95 Mg OG1 A:Thr355 3.98 Mg N A:Asp703 4.24 Mg CB A:Asp703 4.27 Mg OD2 A:Asp703 3.34 Mg C A:Asp703 4.57 Mg OD1 A:Asp703 1.88 Mg CG A:Asp703 2.95 Mg CA A:Asp703 4.57 Mg N A:Gly704 4.14 Mg CA A:Gly704 4.78 Mg OD2 A:Asp707 3.93 Mg F3 A:Alf998 2.23 Mg F2 A:Alf998 4.47 Mg AL A:Alf998 3.66 Mg F1 A:Alf998 3.73 Mg O A:Hoh4001 2.12 Mg O A:Hoh4002 2.20 Mg O A:Hoh4003 4.76 interactive model: