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Atomistry » Calcium » PDB 3cga-3ctz » 3cs7 » |
Calcium in PDB 3cs7: Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-OneEnzymatic activity of Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One
All present enzymatic activity of Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One:
3.4.21.6; Protein crystallography data
The structure of Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One, PDB code: 3cs7
was solved by
R.S.Alexander,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 3cs7:
The structure of Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One
(pdb code 3cs7). 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 Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One, PDB code: 3cs7: Calcium binding site 1 out of 1 in 3cs7Go back to Calcium Binding Sites List in 3cs7
Calcium binding site 1 out
of 1 in the Factor Xa in Complex with the Inhibitor 1-(4-Methoxyphenyl)- 6-(4-(1-(Pyrrolidin-1-Ylmethyl)Cyclopropyl)Phenyl)-3- (Trifluoromethyl)-5,6-Dihydro-1H-Pyrazolo[3,4-C]Pyridin- 7(4H)-One
Mono view Stereo pair view
Reference:
J.X.Qiao,
D.L.Cheney,
R.S.Alexander,
A.M.Smallwood,
S.R.King,
K.He,
A.R.Rendina,
J.M.Luettgen,
R.M.Knabb,
R.R.Wexler,
P.Y.Lam.
Achieving Structural Diversity Using the Perpendicular Conformation of Alpha-Substituted Phenylcyclopropanes to Mimic the Bioactive Conformation of Ortho-Substituted Biphenyl P4 Moieties: Discovery of Novel, Highly Potent Inhibitors of Factor Xa. Bioorg.Med.Chem.Lett. V. 18 4118 2008.
Page generated: Sat Dec 12 04:07:57 2020
ISSN: ISSN 0960-894X PubMed: 18550370 DOI: 10.1016/J.BMCL.2008.05.095 |
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