Magnesium in the structure of Crystal Structure of the Stationary Phase Survival Protein Sure From Thermus Thermophilus HB8 in Complex With Magnesium and Tungstate (pdb 2e6b)

The binding sites of Magnesium atom in the structure of Crystal Structure of the Stationary Phase Survival Protein Sure From Thermus Thermophilus HB8 in Complex With Magnesium and Tungstate (pdb code 2e6b). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2e6b structure was solved by W.IWASAKI, K.MIKI, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 46.5-2.5 Space group P3121 a (A) 132.018 b (A) 132.018 c (A) 130.824 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 19.8 Rfree (%) 23 Magnesium Binding Sites: Magnesium binding site 1 out of 4 in 2e6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2e6b. 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: Asp8, A: Asp9, A: Asn96, A: Leu97, A: Thr110, A: Wo4302, A: Hoh512, conact list: Atom Atom Distance (A) Mg O A:Asp8 4.15 Mg CB A:Asp8 4.63 Mg OD2 A:Asp8 2.32 Mg C A:Asp8 4.20 Mg OD1 A:Asp8 3.56 Mg CG A:Asp8 3.27 Mg CA A:Asp8 4.92 Mg N A:Asp9 4.28 Mg CB A:Asp9 4.34 Mg OD2 A:Asp9 3.85 Mg OD1 A:Asp9 2.07 Mg CG A:Asp9 3.23 Mg CA A:Asp9 4.33 Mg CB A:Asn96 4.82 Mg ND2 A:Asn96 4.01 Mg OD1 A:Asn96 2.43 Mg CG A:Asn96 3.54 Mg O A:Leu97 4.77 Mg N A:Leu97 4.94 Mg OG1 A:Thr110 4.72 Mg O1 A:Wo4302 4.44 Mg W A:Wo4302 3.64 Mg O2 A:Wo4302 4.64 Mg O4 A:Wo4302 4.50 Mg O3 A:Wo4302 1.92 Mg O A:Hoh512 4.61 interactive model: Magnesium binding site 2 out of 4 in 2e6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2e6b. 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: Asp8, B: Asp9, B: Asn96, B: Leu97, B: Thr110, B: Wo41302, B: Hoh1417, conact list: Atom Atom Distance (A) Mg O B:Asp8 4.22 Mg CB B:Asp8 4.84 Mg OD2 B:Asp8 2.54 Mg C B:Asp8 4.28 Mg OD1 B:Asp8 3.80 Mg CG B:Asp8 3.50 Mg N B:Asp9 4.23 Mg CB B:Asp9 4.15 Mg OD2 B:Asp9 3.56 Mg OD1 B:Asp9 1.89 Mg CG B:Asp9 2.99 Mg CA B:Asp9 4.18 Mg CB B:Asn96 4.63 Mg ND2 B:Asn96 3.90 Mg OD1 B:Asn96 2.23 Mg CG B:Asn96 3.36 Mg O B:Leu97 4.39 Mg N B:Leu97 4.63 Mg OG1 B:Thr110 4.82 Mg O1 B:Wo41302 4.55 Mg W B:Wo41302 3.77 Mg O2 B:Wo41302 4.64 Mg O4 B:Wo41302 4.75 Mg O3 B:Wo41302 2.06 Mg O B:Hoh1417 4.30 interactive model: Magnesium binding site 3 out of 4 in 2e6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Magnesium in the PDB 2e6b. 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: Asp8, C: Asp9, C: Asn96, C: Leu97, C: Thr110, C: Wo42302, C: Hoh2413, conact list: Atom Atom Distance (A) Mg O C:Asp8 4.19 Mg CB C:Asp8 4.56 Mg OD2 C:Asp8 2.31 Mg C C:Asp8 4.27 Mg OD1 C:Asp8 3.33 Mg CG C:Asp8 3.16 Mg CA C:Asp8 4.94 Mg N C:Asp9 4.37 Mg CB C:Asp9 4.39 Mg OD2 C:Asp9 3.68 Mg OD1 C:Asp9 2.16 Mg CG C:Asp9 3.19 Mg CA C:Asp9 4.45 Mg CB C:Asn96 4.54 Mg ND2 C:Asn96 3.70 Mg OD1 C:Asn96 2.16 Mg CG C:Asn96 3.24 Mg O C:Leu97 4.73 Mg N C:Leu97 4.66 Mg OG1 C:Thr110 4.54 Mg O1 C:Wo42302 4.32 Mg W C:Wo42302 3.50 Mg O2 C:Wo42302 4.51 Mg O4 C:Wo42302 4.36 Mg O3 C:Wo42302 1.79 Mg O C:Hoh2413 4.23 interactive model: Magnesium binding site 4 out of 4 in 2e6b Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Magnesium in the PDB 2e6b. 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: Asp8, D: Asp9, D: Asn96, D: Leu97, D: Thr110, D: Wo43302, D: Hoh3410, conact list: Atom Atom Distance (A) Mg O D:Asp8 4.38 Mg CB D:Asp8 4.72 Mg OD2 D:Asp8 2.36 Mg C D:Asp8 4.26 Mg OD1 D:Asp8 3.85 Mg CG D:Asp8 3.44 Mg CA D:Asp8 4.96 Mg N D:Asp9 4.13 Mg CB D:Asp9 4.12 Mg OD2 D:Asp9 3.48 Mg OD1 D:Asp9 1.96 Mg CG D:Asp9 2.96 Mg CA D:Asp9 4.18 Mg CB D:Asn96 4.59 Mg ND2 D:Asn96 3.75 Mg OD1 D:Asn96 2.20 Mg CG D:Asn96 3.29 Mg O D:Leu97 4.65 Mg N D:Leu97 4.69 Mg OG1 D:Thr110 4.76 Mg O1 D:Wo43302 4.64 Mg W D:Wo43302 3.78 Mg O2 D:Wo43302 4.64 Mg O4 D:Wo43302 4.71 Mg O3 D:Wo43302 2.05 Mg O D:Hoh3410 4.14 interactive model: