Sodium in the structure of Wild-Type Hiv-2 Protease With Antiviral Drug Amprenavir (pdb 3s45)

The binding sites of Sodium atom in the structure of Wild-Type Hiv-2 Protease With Antiviral Drug Amprenavir (pdb code 3s45). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 3s45 structure was solved by Y.-F.TIE, Y.-F.WANG, I.T.WEBER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.5 Space group C121 a (A) 105.998 b (A) 30.986 c (A) 56.161 alpha (°) 90.00 beta (°) 91.66 gamma (°) 90.00 Rfactor (%) 18.3 Rfree (%) 24.6 Sodium Binding Sites: Sodium binding site 1 out of 1 in 3s45 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 3s45. 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: Tyr42, A: Hoh1054, A: Hoh1083, A: Hoh1096, conact list: Atom Atom Distance (A) Na O A:Asn40 3.49 Na C A:Asn40 4.18 Na N A:Asn41 4.24 Na CB A:Asn41 3.71 Na ND2 A:Asn41 4.33 Na C A:Asn41 4.67 Na OD1 A:Asn41 2.11 Na CG A:Asn41 3.16 Na CA A:Asn41 3.53 Na N A:Tyr42 4.85 Na O A:Hoh1054 3.00 Na O A:Hoh1083 2.59 Na O A:Hoh1096 4.81 interactive model: