Sodium in the structure of Crystal Structure Analysis of the Streptococcus Pneumoniae Adcaii Protein (pdb 3cx3)

The binding sites of Sodium atom in the structure of Crystal Structure Analysis of the Streptococcus Pneumoniae Adcaii Protein (pdb code 3cx3). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3cx3 structure was solved by E.LOISEL, C.DURMORT, L.JACQUAMET, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 44.9-2.4 Space group P212121 a (A) 55.760 b (A) 63.260 c (A) 151.660 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 22.5 Rfree (%) 29.5 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3cx3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3cx3. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Pro105, A: Val112, A: Lys113, A: Val114, conact list: Atom Atom Distance (A) Na CD A:Pro105 4.79 Na CG A:Pro105 4.35 Na O A:Val112 3.97 Na C A:Val112 4.97 Na C A:Lys113 4.77 Na CA A:Lys113 4.83 Na O A:Val114 4.51 Na N A:Val114 3.76 Na CB A:Val114 3.80 Na CG2 A:Val114 3.46 Na C A:Val114 4.94 Na CA A:Val114 4.34 interactive model: Sodium binding site 2 out of 2 in 3cx3 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3cx3. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Sodium atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Glu172, A: His173, A: Glu175, A: Thr176, conact list: Atom Atom Distance (A) Na O A:Glu172 4.32 Na C A:Glu172 4.76 Na O A:His173 4.39 Na NE2 A:His173 4.51 Na N A:His173 4.64 Na CB A:His173 4.04 Na ND1 A:His173 5.00 Na CD2 A:His173 3.59 Na C A:His173 4.30 Na CG A:His173 3.98 Na CA A:His173 3.69 Na N A:Glu175 4.98 Na CB A:Glu175 4.49 Na N A:Thr176 4.28 Na CB A:Thr176 4.11 Na OG1 A:Thr176 3.02 Na CA A:Thr176 4.80 interactive model: