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Atomistry » Sodium » PDB 3k9g-3la1 » 3kqe | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Sodium » PDB 3k9g-3la1 » 3kqe » |
Sodium in PDB 3kqe: Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-5,6-Dihydro-1H- Pyrazolo[3,4-C]Pyridin-7(4H)-OneEnzymatic activity of Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-5,6-Dihydro-1H- Pyrazolo[3,4-C]Pyridin-7(4H)-One
All present enzymatic activity of Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-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 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-5,6-Dihydro-1H- Pyrazolo[3,4-C]Pyridin-7(4H)-One, PDB code: 3kqe
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Sodium Binding Sites:
The binding sites of Sodium atom in the Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-5,6-Dihydro-1H- Pyrazolo[3,4-C]Pyridin-7(4H)-One
(pdb code 3kqe). 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 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-5,6-Dihydro-1H- Pyrazolo[3,4-C]Pyridin-7(4H)-One, PDB code: 3kqe: Jump to Sodium binding site number: 1; 2; Sodium binding site 1 out of 2 in 3kqeGo back to Sodium Binding Sites List in 3kqe
Sodium binding site 1 out
of 2 in the Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-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 3kqeGo back to Sodium Binding Sites List in 3kqe
Sodium binding site 2 out
of 2 in the Factor Xa in Complex with the Inhibitor 3-Methyl-1-(3-(5- Oxo-4,5- Dihydro-1H-1,2,4-Triazol-3-Yl)Phenyl)-6-(2'- (Pyrrolidin-1-Ylmethyl) Biphenyl-4-Yl)-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 11:15:01 2024
ISSN: ISSN 0960-894X PubMed: 20100660 DOI: 10.1016/J.BMCL.2010.01.011 |
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