Sodium in the structure of Crystal Structure Of the Complex of Mutant Hiv-1 Protease (A71V, V82T, I84V) With A Hydroxyethylamine Peptidomimetic Inhibitor Boc-Phe- Psi[R-Ch(Oh)CH2NH]-Phe-Glu-Phe-NH2 (pdb 1zpk)

The binding sites of Sodium atom in the structure of Crystal Structure Of the Complex of Mutant Hiv-1 Protease (A71V, V82T, I84V) With A Hydroxyethylamine Peptidomimetic Inhibitor Boc-Phe- Psi[R-Ch(Oh)CH2NH]-Phe-Glu-Phe-NH2 (pdb code 1zpk). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 1zpk structure was solved by J.DUSKOVA, T.SKALOVA, J.DOHNALEK, H.PETROKOVA, J.HASEK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 10.0-1.6 Space group P61 a (A) 62.483 b (A) 62.483 c (A) 82.412 alpha (°) 90.00 beta (°) 90.00 gamma (°) 120.00 Rfactor (%) 15.6 Rfree (%) 25.3 Sodium Binding Sites: Sodium binding site 1 out of 1 in 1zpk Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 1zpk. 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: B: Asp129, B: Asp130, B: Thr131, B: Thr174, B: Asn188, B: Cl501, B: Hoh308, B: Hoh362, B: Hoh404, conact list: Atom Atom Distance (A) Na O B:Asp129 4.87 Na CB B:Asp130 3.82 Na OD2 B:Asp130 4.58 Na OD1 B:Asp130 2.70 Na CG B:Asp130 3.55 Na CA B:Asp130 4.12 Na N B:Thr131 4.81 Na O B:Thr174 4.62 Na CB B:Thr174 3.82 Na CG2 B:Thr174 3.92 Na OG1 B:Thr174 4.60 Na C B:Thr174 4.95 Na CA B:Thr174 4.96 Na CB B:Asn188 4.25 Na ND2 B:Asn188 4.02 Na OD1 B:Asn188 4.59 Na CG B:Asn188 4.09 Na CL B:Cl501 4.96 Na O B:Hoh308 2.64 Na O B:Hoh362 2.49 Na O B:Hoh404 4.31 interactive model: