Sodium in the structure of Potent Macrocyclic Renin Inhibitors (pdb 3own)

The binding sites of Sodium atom in the structure of Potent Macrocyclic Renin Inhibitors (pdb code 3own). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3own structure was solved by N.BORKAKOTI, D.DERBYSHIRE, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 70.9-2.0 Space group P213 a (A) 141.827 b (A) 141.827 c (A) 141.827 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 21.7 Rfree (%) 25.4 Sodium Binding Sites: Sodium binding site 1 out of 2 in 3own Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3own. 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: Act801, conact list: Atom Atom Distance (A) Na O A:Act801 3.13 Na C A:Act801 4.38 interactive model: Sodium binding site 2 out of 2 in 3own Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Sodium in the PDB 3own. 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: Leu118, A: Phe250, A: Act801, A: Act804, conact list: Atom Atom Distance (A) Na CD2 A:Leu118 4.01 Na CE2 A:Phe250 4.39 Na CD2 A:Phe250 4.19 Na O A:Act801 4.37 Na CH3 A:Act801 4.51 Na C A:Act801 3.61 Na OXT A:Act801 2.39 Na O A:Act804 4.77 Na CH3 A:Act804 4.22 Na C A:Act804 3.76 Na OXT A:Act804 2.67 interactive model: