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Sodium in PDB 2vwl: Aminopyrrolidine Factor Xa Inhibitor

Enzymatic activity of Aminopyrrolidine Factor Xa Inhibitor

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

Protein crystallography data

The structure of Aminopyrrolidine Factor Xa Inhibitor, PDB code: 2vwl 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) 74.74 / 1.8
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.800, 105.800, 49.720, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 25

Other elements in 2vwl:

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

Fluorine (F) 1 atom
Calcium (Ca) 1 atom
Chlorine (Cl) 2 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Aminopyrrolidine Factor Xa Inhibitor (pdb code 2vwl). 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 Factor Xa Inhibitor, PDB code: 2vwl:

Sodium binding site 1 out of 1 in 2vwl

Go back to Sodium Binding Sites List in 2vwl
Sodium binding site 1 out of 1 in the Aminopyrrolidine 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 Factor Xa Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na1249

b:22.1
occ:1.00
O A:ARG222 2.2 23.2 1.0
O A:LYS224 2.3 20.1 0.5
O A:LYS224 2.3 20.3 0.5
O A:TYR185 2.3 23.0 1.0
O A:HOH2223 2.5 25.0 1.0
O A:ASP185A 2.5 26.5 1.0
O A:HOH2229 2.8 25.1 1.0
C A:ASP185A 3.3 26.2 1.0
C A:ARG222 3.4 25.3 1.0
C A:LYS224 3.4 20.1 0.5
C A:LYS224 3.4 19.7 0.5
C A:TYR185 3.4 24.0 1.0
N A:LYS224 3.6 21.6 0.5
N A:LYS224 3.6 21.3 0.5
CA A:ASP185A 3.8 26.2 1.0
C A:ALA221 4.0 26.1 1.0
N A:ARG222 4.1 25.7 1.0
CA A:LYS224 4.1 20.8 0.5
CA A:LYS224 4.1 20.2 0.5
N A:ASP185A 4.1 25.2 1.0
N A:GLY223A 4.1 23.2 1.0
N A:THR185B 4.2 28.4 1.0
O A:ALA221 4.2 27.3 1.0
N A:LYS223 4.2 24.8 1.0
CA A:LYS223 4.2 25.2 1.0
CA A:ARG222 4.3 25.5 1.0
O A:HOH2209 4.4 22.8 1.0
C A:LYS223 4.4 23.2 1.0
CA A:ALA221 4.5 26.1 1.0
N A:TYR225 4.5 19.0 1.0
CA A:THR185B 4.6 28.5 1.0
CB A:LYS224 4.6 20.2 0.5
CA A:TYR185 4.6 23.9 1.0
CB A:LYS224 4.7 19.3 0.5
C A:GLY223A 4.7 22.4 1.0
O A:LYS186 4.7 29.5 1.0
CA A:TYR225 4.8 18.5 1.0
N A:TYR185 4.9 23.6 1.0
CA A:GLY223A 4.9 22.4 1.0
C A:THR185B 5.0 29.1 1.0

Reference:

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
Page generated: Mon Oct 7 04:31:53 2024

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