Magnesium in the structure of Crystal Structure of Dhhn Bound to BOCFN3 (pdb 3n1g)

The binding sites of Magnesium atom in the structure of Crystal Structure of Dhhn Bound to BOCFN3 (pdb code 3n1g). This binding sites where shown with 5.0 Angstroms radius around Magnesium atom. The 3n1g structure was solved by J.M.KAVRAN, D.J.LEAHY, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 24.6-1.9 Space group P21212 a (A) 87.210 b (A) 92.985 c (A) 74.684 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.2 Rfree (%) 22.2 Magnesium Binding Sites: Magnesium binding site 1 out of 1 in 3n1g Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Magnesium in the PDB 3n1g. 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: Thr100, A: Arg102, A: Cys103, A: Arg145, A: Val186, A: Lys187, A: Ala188, A: Asp189, A: Hoh219, conact list: Atom Atom Distance (A) Mg CB A:Thr100 3.24 Mg CG2 A:Thr100 3.47 Mg OG1 A:Thr100 2.88 Mg CA A:Thr100 4.73 Mg N A:Arg102 4.43 Mg CB A:Arg102 3.66 Mg CD A:Arg102 4.47 Mg CG A:Arg102 4.63 Mg CA A:Arg102 4.56 Mg N A:Cys103 4.61 Mg CD A:Arg145 3.89 Mg CG A:Arg145 3.80 Mg O A:Val186 4.80 Mg CB A:Val186 4.62 Mg CG2 A:Val186 3.54 Mg C A:Val186 4.93 Mg O A:Lys187 2.67 Mg C A:Lys187 3.69 Mg O A:Ala188 3.98 Mg N A:Ala188 4.04 Mg C A:Ala188 3.29 Mg CB A:Ala188 4.82 Mg CA A:Ala188 3.50 Mg N A:Asp189 3.07 Mg CB A:Asp189 4.01 Mg OD2 A:Asp189 4.49 Mg OD1 A:Asp189 2.85 Mg CG A:Asp189 3.58 Mg CA A:Asp189 3.80 Mg O A:Hoh219 4.13 interactive model: