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Atomistry » Calcium » PDB 5tae-5tua » 5tqg » |
Calcium in PDB 5tqg: Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-DioneEnzymatic activity of Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione
All present enzymatic activity of Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione:
3.4.21.21; Protein crystallography data
The structure of Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione, PDB code: 5tqg
was solved by
A.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5tqg:
The structure of Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione also contains other interesting chemical elements:
Calcium Binding Sites:
The binding sites of Calcium atom in the Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione
(pdb code 5tqg). 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 Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione, PDB code: 5tqg: Calcium binding site 1 out of 1 in 5tqgGo back to![]() ![]()
Calcium binding site 1 out
of 1 in the Factor Viia in Complex with the Inhibitor (5R,11R)-11-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-16-(Cyclopropylsulfonyl)-7-(2,2- Difluoroethoxy)-5,13-Dimethyl-2,13-Diazatricyclo[13.3.1.1~6, 10~]Icosa-1(19),6(20),7,9,15,17-Hexaene-3,12-Dione
![]() Mono view ![]() Stereo pair view
Reference:
J.M.Richter,
D.L.Cheney,
J.A.Bates,
A.Wei,
J.M.Luettgen,
A.R.Rendina,
T.M.Harper,
R.Narayanan,
P.C.Wong,
D.Seiffert,
R.R.Wexler,
E.S.Priestley.
Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic Fviia Inhibitors. Acs Med Chem Lett V. 8 67 2017.
Page generated: Wed Jul 9 10:22:19 2025
ISSN: ISSN 1948-5875 PubMed: 28105277 DOI: 10.1021/ACSMEDCHEMLETT.6B00375 |
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