Sodium in the structure of Aminopyrrolidine Factor Xa Inhibitor (pdb 2vwl)

The binding sites of Sodium atom in the structure of Aminopyrrolidine Factor Xa Inhibitor (pdb code 2vwl). This binding sites where shown with 5.0 Angstroms radius around Sodium atom. The 2vwl structure was solved by K.GROEBKE-ZBINDEN, D.W.BANNER, J.M.BENZ, F.BLASCO, G.DECORET, J.HIMBER, B.KUHN, N.PANDAY, F.RICKLIN, P.RISCH, D.SCHLATTER, M.STAHL, R.UNGER, W.HAAP, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 74.7-1.8 Space group P43212 a (A) 105.800 b (A) 105.800 c (A) 49.720 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 25 Sodium Binding Sites: Sodium binding site 1 out of 1 in 2vwl Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Sodium in the PDB 2vwl. 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: Tyr185, A: Asp185A, A: Thr185B, A: Lys186, A: Ala221, A: Arg222, A: Lys223, A: Gly223A, A: Lys224, A: Tyr225, A: Hoh2209, A: Hoh2223, A: Hoh2229, conact list: Atom Atom Distance (A) Na O A:Tyr185 2.26 Na N A:Tyr185 4.89 Na C A:Tyr185 3.43 Na CA A:Tyr185 4.63 Na O A:Asp185A 2.52 Na N A:Asp185A 4.08 Na C A:Asp185A 3.26 Na CA A:Asp185A 3.83 Na N A:Thr185B 4.16 Na C A:Thr185B 4.99 Na CA A:Thr185B 4.57 Na O A:Lys186 4.71 Na O A:Ala221 4.17 Na C A:Ala221 4.01 Na CA A:Ala221 4.45 Na O A:Arg222 2.25 Na N A:Arg222 4.06 Na C A:Arg222 3.35 Na CA A:Arg222 4.31 Na N A:Lys223 4.18 Na C A:Lys223 4.38 Na CA A:Lys223 4.23 Na N A:Gly223A 4.12 Na C A:Gly223A 4.71 Na CA A:Gly223A 4.90 Na O A:Lys224 2.25 Na O A:Lys224 2.25 Na N A:Lys224 3.64 Na N A:Lys224 3.64 Na CB A:Lys224 4.69 Na CB A:Lys224 4.62 Na C A:Lys224 3.42 Na C A:Lys224 3.42 Na CA A:Lys224 4.08 Na CA A:Lys224 4.06 Na N A:Tyr225 4.53 Na CA A:Tyr225 4.84 Na O A:Hoh2209 4.38 Na O A:Hoh2223 2.45 Na O A:Hoh2229 2.78 interactive model: