Sodium in the structure of High Resolution Hiv-2 Protease Structure in Complex With Antiviral Inhibitor Grl-06579A (pdb 3ec0)

The binding sites of Sodium atom in the structure of High Resolution Hiv-2 Protease Structure in Complex With Antiviral Inhibitor Grl-06579A (pdb code 3ec0). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3ec0 structure was solved by A.Y.KOVALEVSKY, I.T.WEBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.2 Space group C121 a (A) 105.360 b (A) 30.913 c (A) 55.954 alpha (°) 90.00 beta (°) 91.79 gamma (°) 90.00 Rfactor (%) 15.6 Rfree (%) 20.6 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3ec0 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3ec0. 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: Asn40, A: Asn41, A: Hoh1063, A: Hoh1084, A: Hoh1101, conact list: Atom Atom Distance (A) Na O A:Asn40 3.70 Na C A:Asn40 4.39 Na N A:Asn41 4.59 Na CB A:Asn41 4.20 Na ND2 A:Asn41 4.57 Na OD1 A:Asn41 2.33 Na CG A:Asn41 3.48 Na CA A:Asn41 3.98 Na O A:Hoh1063 2.80 Na O A:Hoh1084 2.38 Na O A:Hoh1101 2.35 interactive model: