Magnesium in the structure of Crystal Structure of Uncharacterized Protein PSPTO_3204 From Pseudomonas Syringae Pv. Tomato Str. DC3000 (pdb 3k4i)

The binding sites of Magnesium atom in the structure of Crystal Structure of Uncharacterized Protein PSPTO_3204 From Pseudomonas Syringae Pv. Tomato Str. DC3000 (pdb code 3k4i). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3k4i structure was solved by V.N.MALASHKEVICH, R.TORO, M.J.SAUDER, S.K.BURLEY, S.C.ALMO, NEW YORK SGXRESEARCH CENTER FOR STRUCTURAL GENOMICS (NYSGXRC), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.7 Space group P1211 a (A) 34.442 b (A) 124.857 c (A) 66.912 alpha (°) 90.00 beta (°) 97.99 gamma (°) 90.00 Rfactor (%) 17.8 Rfree (%) 21.4 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 3k4i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3k4i. 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: Asp102, A: Asp124, C: Asp24, C: Ala26, C: Ser27, C: Glu200, A: Hoh245, A: Hoh303, A: Hoh322, C: Hoh314, C: Hoh325, C: Hoh326, C: Hoh379, conact list: Atom Atom Distance (A) Mg CB A:Asp102 4.43 Mg OD2 A:Asp102 2.15 Mg OD1 A:Asp102 3.42 Mg CG A:Asp102 3.12 Mg OD2 A:Asp124 3.91 Mg OD1 A:Asp124 3.90 Mg CG A:Asp124 4.22 Mg OD1 C:Asp24 3.98 Mg CG C:Asp24 4.97 Mg CB C:Ala26 4.74 Mg OG C:Ser27 4.31 Mg OE1 C:Glu200 2.38 Mg CB C:Glu200 4.79 Mg OE2 C:Glu200 3.70 Mg CD C:Glu200 3.36 Mg CG C:Glu200 4.67 Mg O A:Hoh245 1.98 Mg O A:Hoh303 2.16 Mg O A:Hoh322 4.70 Mg O C:Hoh314 3.84 Mg O C:Hoh325 1.98 Mg O C:Hoh326 2.14 Mg O C:Hoh379 4.32 interactive model: Magnesium binding site 2 out of 3 in 3k4i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3k4i. 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: Asp24, A: Ala26, A: Ser27, A: Glu200, B: Asp102, B: Asp124, A: Hoh309, A: Hoh310, A: Hoh372, B: Hoh252, B: Hoh255, B: Hoh308, B: Hoh371, conact list: Atom Atom Distance (A) Mg OD1 A:Asp24 4.05 Mg CB A:Ala26 4.88 Mg OG A:Ser27 4.14 Mg OE1 A:Glu200 2.24 Mg CB A:Glu200 4.62 Mg OE2 A:Glu200 3.95 Mg CD A:Glu200 3.40 Mg CG A:Glu200 4.59 Mg CB B:Asp102 4.37 Mg OD2 B:Asp102 2.02 Mg OD1 B:Asp102 3.48 Mg CG B:Asp102 3.08 Mg OD2 B:Asp124 4.03 Mg OD1 B:Asp124 4.00 Mg CG B:Asp124 4.30 Mg O A:Hoh309 2.11 Mg O A:Hoh310 3.85 Mg O A:Hoh372 4.32 Mg O B:Hoh252 1.98 Mg O B:Hoh255 1.98 Mg O B:Hoh308 2.21 Mg O B:Hoh371 4.84 interactive model: Magnesium binding site 3 out of 3 in 3k4i Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3k4i. 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: Asp24, B: Ala26, B: Ser27, B: Glu200, C: Asp102, C: Asp124, B: Hoh250, B: Hoh267, B: Hoh270, C: Hoh248, C: Hoh274, C: Hoh389, conact list: Atom Atom Distance (A) Mg OD1 B:Asp24 3.71 Mg CG B:Asp24 4.77 Mg CB B:Ala26 4.63 Mg OG B:Ser27 4.33 Mg OE1 B:Glu200 2.16 Mg CB B:Glu200 4.63 Mg OE2 B:Glu200 3.76 Mg CD B:Glu200 3.28 Mg CG B:Glu200 4.54 Mg CB C:Asp102 4.34 Mg OD2 C:Asp102 2.06 Mg OD1 C:Asp102 3.39 Mg CG C:Asp102 3.05 Mg OD2 C:Asp124 3.99 Mg OD1 C:Asp124 3.79 Mg CG C:Asp124 4.23 Mg O B:Hoh250 3.67 Mg O B:Hoh267 2.04 Mg O B:Hoh270 2.00 Mg O C:Hoh248 2.01 Mg O C:Hoh274 2.04 Mg O C:Hoh389 3.98 interactive model: