Sodium in the structure of Hiv-1 Protease Mutant L90M Complexed With Inhibitor TMC114 (pdb 2f81)

The binding sites of Sodium atom in the structure of Hiv-1 Protease Mutant L90M Complexed With Inhibitor TMC114 (pdb code 2f81). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2f81 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 P21212 a (A) 58.260 b (A) 85.910 c (A) 46.051 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 14.1 Rfree (%) 18.9 Sodium Binding Sites: Sodium binding site 1 out of 1 in 2f81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2f81. 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: Pro39, A: Gly40, A: Arg41, A: Tyr59, A: Asp60, A: Gln61, A: Ile62, A: Hoh1054, A: Hoh1069, A: Hoh1104, A: Hoh1132, A: Hoh1196, conact list: Atom Atom Distance (A) Na O A:Pro39 4.67 Na CA A:Gly40 4.93 Na O A:Arg41 4.17 Na N A:Arg41 4.63 Na C A:Tyr59 4.68 Na O A:Asp60 2.38 Na N A:Asp60 3.77 Na CB A:Asp60 4.42 Na C A:Asp60 3.43 Na CA A:Asp60 4.05 Na O A:Gln61 4.65 Na N A:Gln61 4.46 Na CB A:Gln61 4.42 Na C A:Gln61 4.75 Na CA A:Gln61 4.76 Na CD1 A:Ile62 4.54 Na O A:Hoh1054 2.35 Na O A:Hoh1069 2.21 Na O A:Hoh1104 2.95 Na O A:Hoh1132 2.31 Na O A:Hoh1196 2.43 interactive model: