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Atomistry » Fluorine » PDB 5hu1-5iev » 5i46 » |
Fluorine in PDB 5i46: Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-DioneEnzymatic activity of Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione
All present enzymatic activity of Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione:
3.4.21.21; Protein crystallography data
The structure of Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione, PDB code: 5i46
was solved by
A.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5i46:
The structure of Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione
(pdb code 5i46). This binding sites where shown within
5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione, PDB code: 5i46: Fluorine binding site 1 out of 1 in 5i46Go back to Fluorine Binding Sites List in 5i46
Fluorine binding site 1 out
of 1 in the Factor Viia in Complex with the Inhibitor (2R,15R)-2-[(1- Aminoisoquinolin-6-Yl)Amino]-8-Fluoro-7-Hydroxy-4,15,17-Trimethyl-13- Oxa-4,11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaene-3,12-Dione
Mono view Stereo pair view
Reference:
P.W.Glunz,
L.Mueller,
D.L.Cheney,
V.Ladziata,
Y.Zou,
N.R.Wurtz,
A.Wei,
P.C.Wong,
R.R.Wexler,
E.S.Priestley.
Atropisomer Control in Macrocyclic Factor Viia Inhibitors. J.Med.Chem. V. 59 4007 2016.
Page generated: Sun Dec 13 12:24:09 2020
ISSN: ISSN 0022-2623 PubMed: 27015008 DOI: 10.1021/ACS.JMEDCHEM.6B00244 |
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