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Atomistry » Fluorine » PDB 5ko1-5lca » 5l2z | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Fluorine » PDB 5ko1-5lca » 5l2z » |
Fluorine in PDB 5l2z: Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic AcidEnzymatic activity of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid
All present enzymatic activity of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid:
3.4.21.21; Protein crystallography data
The structure of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid, PDB code: 5l2z
was solved by
A.Wei,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5l2z:
The structure of Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid
(pdb code 5l2z). 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 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid, PDB code: 5l2z: Fluorine binding site 1 out of 1 in 5l2zGo back to Fluorine Binding Sites List in 5l2z
Fluorine binding site 1 out
of 1 in the Factor Viia in Complex with the Inhibitor 1-[(2R,15R)-2-[(1-Amino-4- Fluoroisoquinolin-6-Yl)Amino]-4,15,17-Trimethyl-3,12-Dioxo-13-Oxa-4, 11-Diazatricyclo[14.2.2.1~6,10~]Henicosa-1(18),6(21),7,9,16,19- Hexaen-7-Yl]Cyclohexane-1-Carboxylic Acid
Mono view Stereo pair view
Reference:
V.U.Ladziata,
P.W.Glunz,
Y.Zou,
X.Zhang,
W.Jiang,
S.Jacutin-Porte,
D.L.Cheney,
A.Wei,
J.M.Luettgen,
T.M.Harper,
P.C.Wong,
D.Seiffert,
R.R.Wexler,
E.S.Priestley.
Synthesis and P1' Sar Exploration of Potent Macrocyclic Tissue Factor-Factor Viia Inhibitors. Bioorg.Med.Chem.Lett. V. 26 5051 2016.
Page generated: Thu Aug 1 11:18:11 2024
ISSN: ESSN 1464-3405 PubMed: 27612545 DOI: 10.1016/J.BMCL.2016.08.088 |
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