Magnesium in the structure of Atomic Resolution Structural Characterization Of Recognition of Histo-Blood Group Antigens By Norwalk Virus (pdb 2zl7)

The binding sites of Magnesium atom in the structure of Atomic Resolution Structural Characterization Of Recognition of Histo-Blood Group Antigens By Norwalk Virus (pdb code 2zl7). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 2zl7 structure was solved by J.M.CHOI, A.M.HUSTON, M.K.ESTES, B.V.V.PRASAD, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 30.1-1.4 Space group P3121 a (A) 83.069 b (A) 83.069 c (A) 164.316 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 17.1 Rfree (%) 18.8 Magnesium Binding Sites: Magnesium binding site 1 out of 2 in 2zl7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 2zl7. 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: Pro234, A: Asn235, A: Leu236, A: Pro237, A: Leu238, A: Leu241, A: Tyr441, A: Gly498, A: Val499, A: Phe500, conact list: Atom Atom Distance (A) Mg O A:Pro234 2.88 Mg CB A:Pro234 4.75 Mg C A:Pro234 4.03 Mg CA A:Pro234 4.85 Mg N A:Asn235 4.96 Mg O A:Leu236 2.74 Mg N A:Leu236 3.99 Mg C A:Leu236 3.89 Mg CA A:Leu236 4.52 Mg N A:Pro237 4.95 Mg CD2 A:Leu238 4.34 Mg CD1 A:Leu241 4.87 Mg CE2 A:Tyr441 4.79 Mg CZ A:Tyr441 3.56 Mg CE1 A:Tyr441 3.68 Mg OH A:Tyr441 2.66 Mg O A:Gly498 4.70 Mg N A:Val499 4.90 Mg CB A:Val499 4.14 Mg CG2 A:Val499 4.62 Mg C A:Val499 3.89 Mg CG1 A:Val499 3.60 Mg CA A:Val499 3.67 Mg O A:Phe500 3.95 Mg N A:Phe500 3.18 Mg CB A:Phe500 4.28 Mg CD2 A:Phe500 4.89 Mg C A:Phe500 4.52 Mg CA A:Phe500 4.15 interactive model: Magnesium binding site 2 out of 2 in 2zl7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Magnesium in the PDB 2zl7. 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: Pro234, B: Asn235, B: Leu236, B: Pro237, B: Leu238, B: Leu241, B: Tyr441, B: Gly499, B: Val500, B: Phe501, conact list: Atom Atom Distance (A) Mg O B:Pro234 2.82 Mg N B:Pro234 4.94 Mg CB B:Pro234 4.71 Mg C B:Pro234 3.98 Mg CA B:Pro234 4.80 Mg N B:Asn235 4.92 Mg CA B:Asn235 4.98 Mg O B:Leu236 2.78 Mg N B:Leu236 4.01 Mg CB B:Leu236 4.98 Mg C B:Leu236 3.92 Mg CA B:Leu236 4.54 Mg N B:Pro237 4.98 Mg CD2 B:Leu238 4.56 Mg CD1 B:Leu241 4.84 Mg CE2 B:Tyr441 4.74 Mg CD1 B:Tyr441 4.99 Mg CZ B:Tyr441 3.52 Mg CE1 B:Tyr441 3.67 Mg OH B:Tyr441 2.58 Mg O B:Gly499 4.75 Mg N B:Val500 4.95 Mg CB B:Val500 4.20 Mg CG2 B:Val500 4.74 Mg C B:Val500 3.93 Mg CG1 B:Val500 3.64 Mg CA B:Val500 3.73 Mg O B:Phe501 3.89 Mg N B:Phe501 3.20 Mg CB B:Phe501 4.22 Mg CD2 B:Phe501 4.78 Mg C B:Phe501 4.48 Mg CG B:Phe501 4.97 Mg CA B:Phe501 4.14 interactive model: