Magnesium in the structure of The 1.4 A Crystal Structure of the Large and Cold-Active Vibrio Sp. Alkaline Phosphatase (pdb 3e2d)

The binding sites of Magnesium atom in the structure of The 1.4 A Crystal Structure of the Large and Cold-Active Vibrio Sp. Alkaline Phosphatase (pdb code 3e2d). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3e2d structure was solved by R.HELLAND, R.L.LARSEN, B.ASGEIRSSON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 19.7-1.4 Space group P21212 a (A) 118.240 b (A) 165.980 c (A) 57.480 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 15.5 Rfree (%) 16.6 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 3e2d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3e2d. 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: Asp12, A: Ser65, A: Thr112, A: His116, A: Thr118, A: Glu268, A: Gly270, A: Asp315, A: Zn602, A: So4610, A: Hoh624, A: Hoh629, A: Hoh648, A: Hoh693, A: Hoh836, conact list: Atom Atom Distance (A) Mg CB A:Asp12 3.64 Mg OD2 A:Asp12 2.02 Mg OD1 A:Asp12 4.11 Mg CG A:Asp12 3.07 Mg CB A:Ser65 4.41 Mg CB A:Ser65 4.36 Mg OG A:Ser65 3.78 Mg OG A:Ser65 3.58 Mg OG1 A:Thr112 4.91 Mg ND1 A:His116 4.06 Mg CE1 A:His116 4.65 Mg N A:Thr118 4.08 Mg CB A:Thr118 3.18 Mg CG2 A:Thr118 4.17 Mg OG1 A:Thr118 2.12 Mg CA A:Thr118 4.24 Mg OE1 A:Glu268 3.45 Mg OE2 A:Glu268 2.03 Mg CD A:Glu268 3.08 Mg CG A:Glu268 4.37 Mg O A:Gly270 4.49 Mg CA A:Gly270 4.56 Mg OD2 A:Asp315 4.82 Mg ZN A:Zn602 4.70 Mg O1 A:So4610 4.47 Mg O A:Hoh624 4.06 Mg O A:Hoh629 2.11 Mg O A:Hoh648 2.09 Mg O A:Hoh693 2.12 Mg O A:Hoh836 4.32 interactive model: Magnesium binding site 2 out of 2 in 3e2d Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3e2d. 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: Asp12, B: Ser65, B: Thr112, B: His116, B: Thr118, B: Glu268, B: Gly270, B: Asp315, B: Zn602, B: So4610, B: Hoh921, B: Hoh923, B: Hoh937, B: Hoh947, B: Hoh1326, conact list: Atom Atom Distance (A) Mg CB B:Asp12 3.61 Mg OD2 B:Asp12 2.02 Mg OD1 B:Asp12 4.10 Mg CG B:Asp12 3.06 Mg CB B:Ser65 4.42 Mg CB B:Ser65 4.37 Mg OG B:Ser65 3.90 Mg OG B:Ser65 3.57 Mg OG1 B:Thr112 4.93 Mg ND1 B:His116 4.06 Mg CE1 B:His116 4.65 Mg N B:Thr118 4.11 Mg CB B:Thr118 3.21 Mg CG2 B:Thr118 4.19 Mg OG1 B:Thr118 2.16 Mg CA B:Thr118 4.27 Mg OE1 B:Glu268 3.44 Mg OE2 B:Glu268 2.00 Mg CD B:Glu268 3.05 Mg CG B:Glu268 4.35 Mg O B:Gly270 4.49 Mg CA B:Gly270 4.57 Mg OD2 B:Asp315 4.81 Mg ZN B:Zn602 4.67 Mg O1 B:So4610 4.49 Mg O B:Hoh921 4.08 Mg O B:Hoh923 2.12 Mg O B:Hoh937 2.08 Mg O B:Hoh947 2.12 Mg O B:Hoh1326 4.28 interactive model: