Sodium in PDB 2vvv: Aminopyrrolidine-Related Triazole Factor Xa Inhibitor

All present enzymatic activity of Aminopyrrolidine-Related Triazole Factor Xa Inhibitor:
3.4.21.6;

The structure of Aminopyrrolidine-Related Triazole Factor Xa Inhibitor, PDB code: 2vvv 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. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.68 / 1.73
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.830, 74.790, 77.150, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.1

The structure of Aminopyrrolidine-Related Triazole Factor Xa Inhibitor also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Calcium	(Ca)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Sodium atom in the Aminopyrrolidine-Related Triazole Factor Xa Inhibitor (pdb code 2vvv). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Aminopyrrolidine-Related Triazole Factor Xa Inhibitor, PDB code: 2vvv:

Sodium binding site 1 out of 1 in the Aminopyrrolidine-Related Triazole Factor Xa Inhibitor


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Aminopyrrolidine-Related Triazole Factor Xa Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1247 b:17.5 occ:1.00 O A:LYS224 2.3 16.3 1.0 O A:TYR185 2.3 16.5 1.0 O A:ARG222 2.3 17.8 1.0 O A:HOH2295 2.4 20.1 1.0 O A:ASP185A 2.5 17.4 1.0 O A:HOH2304 2.9 16.6 1.0 C A:ASP185A 3.3 18.2 1.0 C A:ARG222 3.4 19.0 1.0 C A:TYR185 3.4 15.4 1.0 C A:LYS224 3.4 16.6 1.0 N A:LYS224 3.7 17.4 1.0 CA A:ASP185A 3.8 17.1 1.0 N A:GLY223A 4.1 19.2 1.0 N A:ASP185A 4.1 15.7 1.0 C A:ALA221 4.1 19.6 1.0 CA A:LYS224 4.1 16.8 1.0 CA A:LYS223 4.2 19.8 1.0 N A:THR185B 4.2 18.7 1.0 N A:LYS223 4.2 18.5 1.0 N A:ARG222 4.2 18.8 1.0 O A:ALA221 4.3 20.2 1.0 O A:HOH2274 4.4 15.6 1.0 C A:LYS223 4.4 19.2 1.0 CA A:ARG222 4.4 19.3 1.0 N A:TYR225 4.5 15.9 1.0 CA A:ALA221 4.5 19.0 1.0 CA A:THR185B 4.5 20.1 1.0 CA A:TYR185 4.6 14.6 1.0 C A:GLY223A 4.7 18.7 1.0 O A:LYS186 4.7 17.9 1.0 CB A:LYS224 4.7 17.2 1.0 CA A:TYR225 4.8 14.9 1.0 N A:TYR185 4.9 15.1 1.0 CA A:GLY223A 4.9 19.0 1.0 CD1 A:TYR225 4.9 18.3 1.0 C A:THR185B 4.9 20.1 1.0 CB A:TYR185 5.0 14.4 1.0

K.G.Zbinden, L.Anselm, D.W.Banner, J.M.Benz, F.Blasco, G.Decoret, J.Himber, B.Kuhn, N.Panday, F.Ricklin, P.Risch, D.Schlatter, M.Stahl, S.Thomi, R.Unger, W.Haap. Design of Novel Aminopyrrolidine Factor Xa Inhibitors From A Screening Hit. Eur.J.Med.Chem. V. 44 2787 2009.
ISSN: ISSN 0223-5234
PubMed: 19200624
DOI: 10.1016/J.EJMECH.2008.12.025