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Calcium in PDB 2vwo: 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: 2vwo 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) 47.09 / 1.6
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.281, 105.281, 49.405, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 22.8

Other elements in 2vwo:

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

Fluorine (F) 2 atoms
Chlorine (Cl) 3 atoms
Sodium (Na) 3 atoms

Calcium Binding Sites:

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

Calcium binding site 1 out of 1 in 2vwo

Go back to Calcium Binding Sites List in 2vwo
Calcium binding site 1 out of 1 in the Aminopyrrolidine Factor Xa Inhibitor


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Aminopyrrolidine Factor Xa Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca1246

b:28.9
occ:1.00
O A:HOH2060 2.0 24.3 1.0
O A:GLN75 2.3 28.8 1.0
OD1 A:ASP70 2.3 25.6 1.0
O A:ASN72 2.3 25.2 1.0
OE2 A:GLU80 2.3 27.7 1.0
OE2 A:GLU77 2.3 28.4 1.0
CD A:GLU80 3.0 25.4 1.0
CG A:ASP70 3.1 22.3 1.0
CD A:GLU77 3.2 31.6 1.0
C A:ASN72 3.3 24.4 1.0
OE1 A:GLU80 3.3 27.8 1.0
C A:GLN75 3.4 29.3 1.0
OD2 A:ASP70 3.4 22.6 1.0
CG A:GLU77 3.7 30.8 1.0
N A:ASN72 3.9 22.2 1.0
N A:GLU77 4.0 28.6 1.0
CA A:ASN72 4.0 23.6 1.0
OE1 A:GLU77 4.1 33.2 1.0
CA A:GLU76 4.1 29.3 1.0
N A:GLN75 4.1 28.7 1.0
CG A:GLU80 4.2 24.2 1.0
N A:THR73 4.2 25.1 1.0
N A:GLU76 4.2 29.2 1.0
CA A:THR73 4.3 26.3 1.0
CA A:GLN75 4.3 29.1 1.0
CB A:ASN72 4.3 23.6 1.0
CB A:ASP70 4.3 19.5 1.0
C A:GLU76 4.5 29.4 1.0
N A:ARG71 4.5 20.1 1.0
O A:HOH2048 4.6 48.9 1.0
CB A:GLU77 4.6 28.9 1.0
CA A:ASP70 4.6 19.3 1.0
C A:THR73 4.6 26.9 1.0
CB A:GLN75 4.9 29.5 1.0
N A:GLU74 4.9 27.0 1.0
CA A:GLU77 4.9 28.1 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: Sat Dec 12 03:54:35 2020

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