Magnesium in the structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex With Phosphonoacetic Acid (pdb 1ew8)

The binding sites of Magnesium atom in the structure of Alkaline Phosphatase (E.C. 3.1.3.1) Complex With Phosphonoacetic Acid (pdb code 1ew8). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 1ew8 structure was solved by K.M.HOLTZ, B.STEC, J.K.MYERS, S.M.ANTONELLI, T.S.WIDLANSKI, E.R.KANTROWITZ, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 12.0-2.2 Space group I222 a (A) 194.770 b (A) 167.190 c (A) 76.590 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.6 Rfree (%) 25.7 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 1ew8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 1ew8. 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: Asp51, A: Ser102, A: Asp153, A: Thr155, A: Glu322, A: Ala324, A: Zn451, A: Po4557, A: Zn453, A: Pae556, A: Hoh5011, A: Hoh5012, A: Hoh5013, A: Hoh5014, A: Hoh5015, A: Hoh5016, A: Hoh5041, A: Hoh5142, conact list: Atom Atom Distance (A) Mg CB A:Asp51 3.41 Mg OD2 A:Asp51 2.05 Mg OD1 A:Asp51 3.98 Mg CG A:Asp51 2.96 Mg CA A:Asp51 4.81 Mg CB A:Ser102 4.70 Mg OG A:Ser102 4.99 Mg OD2 A:Asp153 3.71 Mg CG A:Asp153 4.64 Mg N A:Thr155 4.32 Mg CB A:Thr155 3.43 Mg CG2 A:Thr155 4.37 Mg OG1 A:Thr155 2.49 Mg CA A:Thr155 4.50 Mg OE1 A:Glu322 3.43 Mg OE2 A:Glu322 1.95 Mg CD A:Glu322 3.02 Mg CG A:Glu322 4.29 Mg O A:Ala324 4.63 Mg CB A:Ala324 4.20 Mg CA A:Ala324 4.52 Mg ZN A:Zn451 4.78 Mg O1 A:Po4557 4.43 Mg O3 A:Po4557 4.47 Mg ZN A:Zn453 0.00 Mg O3P A:Pae556 4.54 Mg O1P A:Pae556 4.30 Mg O A:Hoh5011 2.20 Mg O A:Hoh5012 2.02 Mg O A:Hoh5013 2.27 Mg O A:Hoh5014 2.20 Mg O A:Hoh5015 2.02 Mg O A:Hoh5016 2.27 Mg O A:Hoh5041 4.05 Mg O A:Hoh5142 4.53 interactive model: Magnesium binding site 2 out of 2 in 1ew8 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 1ew8. 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: Asp51, B: Ser102, B: Asp153, B: Thr155, B: Glu322, B: Ala324, B: Asp369, B: Zn451, B: Po4557, B: Zn453, B: Hoh5024, B: Hoh5025, B: Hoh5026, B: Hoh5027, B: Hoh5028, B: Hoh5029, B: Hoh5064, B: Hoh5066, conact list: Atom Atom Distance (A) Mg CB B:Asp51 3.57 Mg OD2 B:Asp51 2.22 Mg OD1 B:Asp51 4.17 Mg CG B:Asp51 3.12 Mg CA B:Asp51 4.90 Mg CB B:Ser102 4.58 Mg OG B:Ser102 4.10 Mg OD2 B:Asp153 3.62 Mg CG B:Asp153 4.67 Mg N B:Thr155 4.23 Mg CB B:Thr155 3.15 Mg CG2 B:Thr155 4.06 Mg OG1 B:Thr155 2.32 Mg CA B:Thr155 4.25 Mg OE1 B:Glu322 1.91 Mg OE2 B:Glu322 3.48 Mg CD B:Glu322 3.02 Mg CG B:Glu322 4.27 Mg O B:Ala324 4.64 Mg CB B:Ala324 4.58 Mg CA B:Ala324 4.54 Mg OD1 B:Asp369 4.85 Mg ZN B:Zn451 4.72 Mg O1 B:Po4557 4.71 Mg O3 B:Po4557 4.74 Mg ZN B:Zn453 0.00 Mg O B:Hoh5024 1.93 Mg O B:Hoh5025 2.03 Mg O B:Hoh5026 2.12 Mg O B:Hoh5027 1.93 Mg O B:Hoh5028 2.03 Mg O B:Hoh5029 2.12 Mg O B:Hoh5064 4.27 Mg O B:Hoh5066 4.06 interactive model: