Magnesium in the structure of Crystal Structure Of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 (pdb 2a5z)

The binding sites of Magnesium atom in the structure of Crystal Structure Of Protein of Unknown Function SO2946 From Shewanella Oneidensis Mr-1 (pdb code 2a5z). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2a5z structure was solved by B.NOCEK, L.BIGELOW, J.ABDULLAH, F.COLLART, A.JOACHIMIAK, MIDWEST CENTERFOR STRUCTURAL GENOMICS (MCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.0-2.0 Space group P1211 a (A) 58.590 b (A) 53.076 c (A) 112.652 alpha (°) 90.00 beta (°) 95.66 gamma (°) 90.00 Rfactor (%) 16.7 Rfree (%) 20.3 Magnesium Binding Sites: Magnesium binding site 1 out of 3 in 2a5z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2a5z. 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: Asp54, A: Phe55, A: His87, A: Phe88, A: Gly89, A: Val90, A: Asp247, A: Leu248, B: Arg259, conact list: Atom Atom Distance (A) Mg O A:Asp54 2.17 Mg N A:Asp54 4.92 Mg CB A:Asp54 3.73 Mg OD2 A:Asp54 4.18 Mg C A:Asp54 3.04 Mg OD1 A:Asp54 2.16 Mg CG A:Asp54 3.17 Mg CA A:Asp54 3.49 Mg O A:Phe55 4.77 Mg N A:Phe55 4.15 Mg CB A:Phe55 4.44 Mg CD2 A:Phe55 4.99 Mg C A:Phe55 4.75 Mg CA A:Phe55 4.61 Mg C A:His87 4.97 Mg O A:Phe88 2.17 Mg N A:Phe88 4.41 Mg C A:Phe88 3.19 Mg CA A:Phe88 4.39 Mg O A:Gly89 2.16 Mg N A:Gly89 3.74 Mg C A:Gly89 3.12 Mg CA A:Gly89 3.49 Mg N A:Val90 4.34 Mg CA A:Val90 4.86 Mg O A:Asp247 2.17 Mg N A:Asp247 4.88 Mg CB A:Asp247 3.96 Mg OD2 A:Asp247 4.26 Mg C A:Asp247 3.02 Mg OD1 A:Asp247 2.18 Mg CG A:Asp247 3.28 Mg CA A:Asp247 3.51 Mg N A:Leu248 4.11 Mg CB A:Leu248 4.43 Mg CA A:Leu248 4.47 Mg NH1 B:Arg259 3.83 interactive model: Magnesium binding site 2 out of 3 in 2a5z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2a5z. 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: Asp54, B: Phe55, B: His87, B: Phe88, B: Gly89, B: Val90, B: Asp247, B: Leu248, C: Arg259, conact list: Atom Atom Distance (A) Mg O B:Asp54 2.16 Mg N B:Asp54 4.92 Mg CB B:Asp54 3.71 Mg OD2 B:Asp54 4.17 Mg C B:Asp54 3.02 Mg OD1 B:Asp54 2.17 Mg CG B:Asp54 3.17 Mg CA B:Asp54 3.49 Mg O B:Phe55 4.84 Mg N B:Phe55 4.13 Mg CB B:Phe55 4.44 Mg C B:Phe55 4.75 Mg CA B:Phe55 4.58 Mg C B:His87 4.90 Mg O B:Phe88 2.15 Mg N B:Phe88 4.28 Mg CB B:Phe88 4.90 Mg C B:Phe88 3.15 Mg CA B:Phe88 4.29 Mg O B:Gly89 2.16 Mg N B:Gly89 3.74 Mg C B:Gly89 3.15 Mg CA B:Gly89 3.55 Mg N B:Val90 4.35 Mg CA B:Val90 4.87 Mg O B:Asp247 2.17 Mg N B:Asp247 4.93 Mg CB B:Asp247 3.99 Mg OD2 B:Asp247 4.20 Mg C B:Asp247 3.05 Mg OD1 B:Asp247 2.16 Mg CG B:Asp247 3.27 Mg CA B:Asp247 3.55 Mg N B:Leu248 4.16 Mg CB B:Leu248 4.44 Mg CA B:Leu248 4.52 Mg CZ C:Arg259 4.95 Mg NH1 C:Arg259 3.74 interactive model: Magnesium binding site 3 out of 3 in 2a5z Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2a5z. 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: Arg259, C: Asp54, C: Phe55, C: His87, C: Phe88, C: Gly89, C: Val90, C: Asp247, C: Leu248, conact list: Atom Atom Distance (A) Mg CZ A:Arg259 4.96 Mg NH2 A:Arg259 3.84 Mg O C:Asp54 2.16 Mg N C:Asp54 4.95 Mg CB C:Asp54 3.75 Mg OD2 C:Asp54 4.01 Mg C C:Asp54 3.04 Mg OD1 C:Asp54 2.16 Mg CG C:Asp54 3.10 Mg CA C:Asp54 3.53 Mg O C:Phe55 4.77 Mg N C:Phe55 4.13 Mg CB C:Phe55 4.38 Mg C C:Phe55 4.69 Mg CA C:Phe55 4.57 Mg C C:His87 4.90 Mg O C:Phe88 2.16 Mg N C:Phe88 4.33 Mg CB C:Phe88 4.93 Mg C C:Phe88 3.18 Mg CA C:Phe88 4.33 Mg O C:Gly89 2.17 Mg N C:Gly89 3.78 Mg C C:Gly89 3.17 Mg CA C:Gly89 3.59 Mg N C:Val90 4.36 Mg CA C:Val90 4.85 Mg O C:Asp247 2.16 Mg N C:Asp247 4.87 Mg CB C:Asp247 3.95 Mg OD2 C:Asp247 4.18 Mg C C:Asp247 3.03 Mg OD1 C:Asp247 2.16 Mg CG C:Asp247 3.25 Mg CA C:Asp247 3.50 Mg N C:Leu248 4.15 Mg CB C:Leu248 4.51 Mg CA C:Leu248 4.54 interactive model: