Magnesium in the structure of Organophosphorus Hydrolase From Deinococcus Radiodurans With Cacodylate Bound (pdb 3htw)

The binding sites of Magnesium atom in the structure of Organophosphorus Hydrolase From Deinococcus Radiodurans With Cacodylate Bound (pdb code 3htw). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3htw structure was solved by R.HAWWA, S.LARSEN, K.RATIA, A.MESECAR, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-1.9 Space group P3121 a (A) 61.292 b (A) 61.292 c (A) 206.011 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 21.2 Rfree (%) 26 Magnesium Binding Sites: Magnesium binding site 1 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3htw. 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: Hoh18, A: Hoh44, A: Hoh532, conact list: Atom Atom Distance (A) Mg O A:Hoh18 4.38 Mg O A:Hoh44 2.73 Mg O A:Hoh532 4.67 interactive model: Magnesium binding site 2 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3htw. 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: Asp395, A: Pro398, A: Asp399, A: Arg402, conact list: Atom Atom Distance (A) Mg O A:Asp395 3.80 Mg C A:Asp395 4.62 Mg CA A:Asp395 4.57 Mg CB A:Pro398 4.83 Mg N A:Asp399 4.69 Mg CB A:Asp399 4.52 Mg CA A:Asp399 4.79 Mg CZ A:Arg402 4.53 Mg NH2 A:Arg402 4.74 Mg NH1 A:Arg402 4.25 interactive model: Magnesium binding site 3 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3htw. 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: Arg402, conact list: Atom Atom Distance (A) Mg CZ A:Arg402 3.82 Mg NH2 A:Arg402 3.44 Mg NH1 A:Arg402 3.26 interactive model: Magnesium binding site 4 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 3htw. 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: Arg401, A: Gly404, A: Ile405, A: Thr406, A: Glu407, A: Hoh66, A: Hoh495, conact list: Atom Atom Distance (A) Mg CZ A:Arg401 4.50 Mg NE A:Arg401 4.59 Mg NH2 A:Arg401 3.76 Mg O A:Gly404 4.72 Mg O A:Ile405 4.39 Mg C A:Ile405 4.67 Mg N A:Thr406 4.45 Mg CB A:Thr406 3.95 Mg CG2 A:Thr406 3.70 Mg C A:Thr406 4.85 Mg CA A:Thr406 3.79 Mg N A:Glu407 4.75 Mg O A:Hoh66 3.00 Mg O A:Hoh495 4.51 interactive model: Magnesium binding site 5 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 3htw. 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: Gln266, A: Arg267, A: Gly294, A: Ala295, A: Asp296, A: Hoh40, A: Hoh76, conact list: Atom Atom Distance (A) Mg OE1 A:Gln266 3.69 Mg CD A:Gln266 4.75 Mg N A:Arg267 4.84 Mg CB A:Arg267 4.66 Mg CG A:Arg267 4.06 Mg CA A:Arg267 4.25 Mg O A:Gly294 3.04 Mg C A:Gly294 4.21 Mg O A:Ala295 4.83 Mg N A:Ala295 4.80 Mg C A:Ala295 4.07 Mg CA A:Ala295 4.38 Mg N A:Asp296 3.48 Mg CB A:Asp296 3.63 Mg OD2 A:Asp296 4.94 Mg CG A:Asp296 4.57 Mg CA A:Asp296 3.88 Mg O A:Hoh40 4.54 Mg O A:Hoh76 2.71 interactive model: Magnesium binding site 6 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Magnesium in the PDB 3htw. 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: Asp296, A: Ala298, A: Arg299, A: Hoh40, A: Hoh78, A: Hoh82, A: Hoh441, conact list: Atom Atom Distance (A) Mg OD2 A:Asp296 3.06 Mg OD1 A:Asp296 4.51 Mg CG A:Asp296 4.12 Mg CB A:Ala298 4.19 Mg CD A:Arg299 4.22 Mg CG A:Arg299 4.12 Mg NE A:Arg299 4.98 Mg O A:Hoh40 4.39 Mg O A:Hoh78 2.49 Mg O A:Hoh82 2.62 Mg O A:Hoh441 4.09 interactive model: Magnesium binding site 7 out of 7 in 3htw Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Magnesium in the PDB 3htw. 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: Asp399, A: Arg402, A: Arg403, conact list: Atom Atom Distance (A) Mg O A:Asp399 4.50 Mg OD2 A:Asp399 4.42 Mg OD1 A:Asp399 2.97 Mg CG A:Asp399 4.06 Mg CD A:Arg402 3.57 Mg CZ A:Arg402 3.31 Mg CG A:Arg402 3.62 Mg NE A:Arg402 2.64 Mg NH2 A:Arg402 3.26 Mg NH1 A:Arg402 4.53 Mg CD A:Arg403 4.40 Mg CZ A:Arg403 4.23 Mg CG A:Arg403 3.80 Mg NE A:Arg403 3.75 Mg NH2 A:Arg403 4.26 interactive model: