Magnesium in the structure of Structure Of Pseudo-Centered Cell Crystal Form Of the C- Terminal Phosphatase Domain of P. Aeruginosa Rssb (pdb 3f79)

The binding sites of Magnesium atom in the structure of Structure Of Pseudo-Centered Cell Crystal Form Of the C- Terminal Phosphatase Domain of P. Aeruginosa Rssb (pdb code 3f79). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3f79 structure was solved by I.LEVCHENKO, R.A.GRANT, R.T.SAUER, T.A.BAKER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 15.0-2.8 Space group P31 a (A) 124.872 b (A) 124.872 c (A) 92.900 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 24.3 Rfree (%) 29.7 Magnesium Binding Sites: Magnesium binding site 1 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3f79. 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: Asp192, B: Asp210, B: Val211, B: Ser212, B: Gly213, B: His214, B: Asp336, B: Asp382, conact list: Atom Atom Distance (A) Mg OD1 B:Asp192 4.36 Mg CB B:Asp210 4.60 Mg OD2 B:Asp210 2.74 Mg OD1 B:Asp210 2.79 Mg CG B:Asp210 3.11 Mg O B:Val211 3.48 Mg C B:Val211 4.64 Mg C B:Ser212 4.77 Mg O B:Gly213 2.93 Mg N B:Gly213 3.91 Mg C B:Gly213 3.83 Mg CA B:Gly213 4.15 Mg N B:His214 4.98 Mg CB B:Asp336 4.50 Mg OD2 B:Asp336 3.31 Mg CG B:Asp336 4.30 Mg CB B:Asp382 4.74 Mg OD2 B:Asp382 3.00 Mg OD1 B:Asp382 2.76 Mg CG B:Asp382 3.25 interactive model: Magnesium binding site 2 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 3f79. 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: E: Gly191, E: Asp192, E: Asp210, E: Val211, E: Ser212, E: Gly213, E: His214, E: Asp336, E: Asp382, E: Asp383, conact list: Atom Atom Distance (A) Mg O E:Gly191 4.73 Mg N E:Gly191 4.72 Mg C E:Gly191 4.37 Mg CA E:Gly191 4.39 Mg N E:Asp192 4.55 Mg OD2 E:Asp192 4.29 Mg OD1 E:Asp192 2.75 Mg CG E:Asp192 3.87 Mg CB E:Asp210 4.68 Mg OD2 E:Asp210 3.87 Mg C E:Asp210 4.54 Mg OD1 E:Asp210 2.70 Mg CG E:Asp210 3.52 Mg CA E:Asp210 4.77 Mg O E:Val211 2.88 Mg N E:Val211 4.32 Mg C E:Val211 4.07 Mg CA E:Val211 4.80 Mg C E:Ser212 4.80 Mg O E:Gly213 2.59 Mg N E:Gly213 4.43 Mg C E:Gly213 3.79 Mg CA E:Gly213 4.63 Mg N E:His214 4.73 Mg CB E:His214 4.83 Mg CA E:His214 4.79 Mg OD2 E:Asp336 3.41 Mg CG E:Asp336 4.47 Mg OD2 E:Asp382 4.25 Mg OD1 E:Asp382 2.98 Mg CG E:Asp382 3.98 Mg N E:Asp383 4.73 Mg CB E:Asp383 4.58 Mg OD2 E:Asp383 3.79 Mg CG E:Asp383 4.59 interactive model: Magnesium binding site 3 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 3f79. 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: F: Asp192, F: Asp210, F: Val211, F: Ser212, F: Gly213, F: His214, F: Asp336, F: Asp382, F: Mg4, conact list: Atom Atom Distance (A) Mg OD1 F:Asp192 4.58 Mg CB F:Asp210 4.99 Mg OD2 F:Asp210 3.21 Mg OD1 F:Asp210 3.02 Mg CG F:Asp210 3.50 Mg O F:Val211 3.28 Mg C F:Val211 4.41 Mg C F:Ser212 4.30 Mg CA F:Ser212 4.66 Mg O F:Gly213 2.82 Mg N F:Gly213 3.44 Mg C F:Gly213 3.57 Mg CA F:Gly213 3.75 Mg N F:His214 4.74 Mg OD2 F:Asp336 4.19 Mg OD2 F:Asp382 3.44 Mg OD1 F:Asp382 3.16 Mg CG F:Asp382 3.67 Mg MG F:Mg4 3.69 interactive model: Magnesium binding site 4 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 3f79. 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: F: Asp192, F: Asp210, F: Ser335, F: Asp336, F: Gly337, F: Asp382, F: Asp383, F: Ile384, F: Mg3, conact list: Atom Atom Distance (A) Mg OD2 F:Asp192 3.11 Mg OD1 F:Asp192 3.51 Mg CG F:Asp192 3.71 Mg CB F:Asp210 4.39 Mg OD2 F:Asp210 2.71 Mg OD1 F:Asp210 3.61 Mg CG F:Asp210 3.31 Mg CB F:Ser335 3.95 Mg OG F:Ser335 4.71 Mg C F:Ser335 4.52 Mg CA F:Ser335 4.75 Mg N F:Asp336 3.47 Mg CB F:Asp336 3.33 Mg OD2 F:Asp336 4.08 Mg C F:Asp336 4.66 Mg CG F:Asp336 4.12 Mg CA F:Asp336 3.94 Mg N F:Gly337 4.42 Mg CB F:Asp382 4.39 Mg OD2 F:Asp382 2.82 Mg C F:Asp382 4.68 Mg OD1 F:Asp382 3.15 Mg CG F:Asp382 3.18 Mg O F:Asp383 2.81 Mg N F:Asp383 4.23 Mg CB F:Asp383 4.55 Mg C F:Asp383 3.88 Mg CA F:Asp383 4.43 Mg N F:Ile384 4.98 Mg MG F:Mg3 3.69 interactive model: Magnesium binding site 5 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Magnesium in the PDB 3f79. 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: C: Asp336, C: Gly337, C: Asp382, conact list: Atom Atom Distance (A) Mg O C:Asp336 4.16 Mg CB C:Asp336 4.56 Mg OD2 C:Asp336 4.18 Mg C C:Asp336 4.55 Mg OD1 C:Asp336 2.77 Mg CG C:Asp336 3.62 Mg N C:Gly337 4.97 Mg CB C:Asp382 3.91 Mg OD2 C:Asp382 4.22 Mg OD1 C:Asp382 4.91 Mg CG C:Asp382 4.20 interactive model: Magnesium binding site 6 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 6 of Magnesium in the PDB 3f79. 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: D: Asp210, D: Val211, D: Ser212, D: Gly213, D: Asp336, D: Asp382, D: Mg7, conact list: Atom Atom Distance (A) Mg CB D:Asp210 4.87 Mg OD2 D:Asp210 3.02 Mg OD1 D:Asp210 3.18 Mg CG D:Asp210 3.44 Mg O D:Val211 3.64 Mg C D:Val211 4.56 Mg N D:Ser212 4.94 Mg C D:Ser212 4.40 Mg CA D:Ser212 4.46 Mg O D:Gly213 3.73 Mg N D:Gly213 3.63 Mg C D:Gly213 4.38 Mg CA D:Gly213 4.24 Mg CB D:Asp336 4.25 Mg OD2 D:Asp336 2.92 Mg CG D:Asp336 3.94 Mg OD2 D:Asp382 3.03 Mg OD1 D:Asp382 3.90 Mg CG D:Asp382 3.87 Mg MG D:Mg7 4.21 interactive model: Magnesium binding site 7 out of 7 in 3f79 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 7 of Magnesium in the PDB 3f79. 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: D: Ser190, D: Gly191, D: Asp192, D: Asp210, D: Val211, D: Gly213, D: His214, D: Ser218, D: Asp382, D: Asp383, D: Mg6, conact list: Atom Atom Distance (A) Mg C D:Ser190 4.81 Mg O D:Gly191 4.17 Mg N D:Gly191 3.52 Mg C D:Gly191 3.52 Mg CA D:Gly191 3.35 Mg N D:Asp192 3.62 Mg CB D:Asp192 4.67 Mg OD2 D:Asp192 4.34 Mg OD1 D:Asp192 2.98 Mg CG D:Asp192 3.79 Mg CA D:Asp192 4.52 Mg CB D:Asp210 4.82 Mg OD2 D:Asp210 4.33 Mg C D:Asp210 4.76 Mg OD1 D:Asp210 2.73 Mg CG D:Asp210 3.77 Mg CA D:Asp210 4.80 Mg O D:Val211 3.30 Mg N D:Val211 4.31 Mg C D:Val211 4.39 Mg CA D:Val211 4.84 Mg O D:Gly213 2.71 Mg C D:Gly213 3.89 Mg N D:His214 4.53 Mg CB D:His214 4.12 Mg CA D:His214 4.20 Mg OG D:Ser218 4.76 Mg OD1 D:Asp382 3.91 Mg CG D:Asp382 4.89 Mg N D:Asp383 4.85 Mg CB D:Asp383 4.08 Mg MG D:Mg6 4.21 interactive model: