Magnesium in the structure of Structure Of The E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase (pdb 3b9b)

The binding sites of Magnesium atom in the structure of Structure Of The E2 Beryllium Fluoride Complex of the Serca CA2+-Atpase (pdb code 3b9b). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3b9b structure was solved by C.OLESEN, M.PICARD, A.M.L.WINTHER, J.P.MORTH, J.V.MOLLER, P.NISSEN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.4-2.6 Space group P212121 a (A) 57.600 b (A) 114.600 c (A) 229.300 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.4 Rfree (%) 27.1 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 3b9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3b9b. 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: Ser178, A: Gly182, A: Asp351, A: Lys352, A: Thr353, A: Gly354, A: Thr355, A: Asp703, A: Gly704, A: Asn706, A: Asp707, A: Bef998, A: Hoh999, A: Hoh1000, conact list: Atom Atom Distance (A) Mg O A:Ser178 4.47 Mg CA A:Gly182 4.46 Mg CB A:Asp351 4.25 Mg OD2 A:Asp351 2.82 Mg OD1 A:Asp351 2.37 Mg CG A:Asp351 2.86 Mg N A:Lys352 4.90 Mg C A:Lys352 4.68 Mg O A:Thr353 2.37 Mg N A:Thr353 4.10 Mg CB A:Thr353 4.09 Mg OG1 A:Thr353 5.00 Mg C A:Thr353 3.48 Mg CA A:Thr353 4.08 Mg N A:Gly354 4.58 Mg CA A:Gly354 4.88 Mg N A:Thr355 4.76 Mg OG1 A:Thr355 4.20 Mg N A:Asp703 4.68 Mg CB A:Asp703 4.67 Mg OD2 A:Asp703 3.82 Mg OD1 A:Asp703 2.32 Mg CG A:Asp703 3.40 Mg N A:Gly704 4.25 Mg CA A:Gly704 4.78 Mg OD1 A:Asn706 4.49 Mg OD2 A:Asp707 3.92 Mg OD1 A:Asp707 4.80 Mg CG A:Asp707 4.75 Mg F3 A:Bef998 3.89 Mg F2 A:Bef998 2.30 Mg BE A:Bef998 2.97 Mg F1 A:Bef998 3.90 Mg O A:Hoh999 2.42 Mg O A:Hoh1000 2.31 interactive model: Magnesium binding site 2 out of 2 in 3b9b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3b9b. 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: Glu90, A: Val304, A: Ala305, A: Ile307, A: Glu309, A: Hoh1061, A: Hoh1062, A: Hoh1063, conact list: Atom Atom Distance (A) Mg OE1 A:Glu90 4.08 Mg OE2 A:Glu90 2.47 Mg CD A:Glu90 3.57 Mg CG A:Glu90 4.74 Mg O A:Val304 3.40 Mg CB A:Val304 4.86 Mg C A:Val304 4.13 Mg CG1 A:Val304 3.67 Mg O A:Ala305 5.00 Mg N A:Ala305 4.57 Mg CA A:Ala305 4.33 Mg O A:Ile307 4.85 Mg OE1 A:Glu309 4.75 Mg OE2 A:Glu309 2.58 Mg CD A:Glu309 3.66 Mg CG A:Glu309 4.08 Mg O A:Hoh1061 4.06 Mg O A:Hoh1062 2.58 Mg O A:Hoh1063 2.69 interactive model: