|
Atomistry » Sodium » PDB 3k9g-3la1 » 3kqd | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Sodium » PDB 3k9g-3la1 » 3kqd » |
Sodium in PDB 3kqd: Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- OneEnzymatic activity of Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-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-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-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-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One, PDB code: 3kqd
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 3kqd:
The structure of Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One also contains other interesting chemical elements:
Sodium Binding Sites:
The binding sites of Sodium atom in the Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One
(pdb code 3kqd). This binding sites where shown within
5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One, PDB code: 3kqd: Jump to Sodium binding site number: 1; 2; Sodium binding site 1 out of 2 in 3kqdGo back to Sodium Binding Sites List in 3kqd
Sodium binding site 1 out
of 2 in the Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One
Mono view Stereo pair view
Sodium binding site 2 out of 2 in 3kqdGo back to Sodium Binding Sites List in 3kqd
Sodium binding site 2 out
of 2 in the Factor Xa in Complex with the Inhibitor 1-(3-(5-Oxo-4,5- Dihydro-1H-1, 2,4-Triazol-3-Yl)Phenyl)-6-(2'-(Pyrrolidin-1- Ylmethyl)Biphenyl-4- Yl)-3-(Trifluoromethyl)-5,6-Dihydro- 1H-Pyrazolo[3,4-C]Pyridin-7(4H)- One
Mono view Stereo pair view
Reference:
M.L.Quan,
D.J.Pinto,
K.A.Rossi,
S.Sheriff,
R.S.Alexander,
E.Amparo,
K.Kish,
R.M.Knabb,
J.M.Luettgen,
P.Morin,
A.Smallwood,
F.J.Woerner,
R.R.Wexler.
Phenyltriazolinones As Potent Factor Xa Inhibitors. Bioorg.Med.Chem.Lett. V. 20 1373 2010.
Page generated: Mon Oct 7 11:14:29 2024
ISSN: ISSN 0960-894X PubMed: 20100660 DOI: 10.1016/J.BMCL.2010.01.011 |
Last articlesZn in 9FD2Zn in 9GUW Zn in 9GUX Zn in 9F7C Zn in 9GUR Zn in 9F7A Zn in 9DDE Zn in 9DBY Zn in 9EBZ Zn in 9DGG |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |