|
Atomistry » Chlorine » PDB 5ti4-5tr9 » 5tkt | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5ti4-5tr9 » 5tkt » |
Chlorine in PDB 5tkt: Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)CarbamateEnzymatic activity of Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate, PDB code: 5tkt
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate
(pdb code 5tkt). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate, PDB code: 5tkt: Chlorine binding site 1 out of 1 in 5tktGo back to![]() ![]()
Chlorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Methyl ((12E,15S)-15-(((2E)- 3-(5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl)-2-Propenoyl)Amino)-9-Oxo-8, 17,19-Triazatricyclo[14.2.1.0~2,7~]Nonadeca-1(18),2,4,6,12,16(19)- Hexaen-5-Yl)Carbamate
![]() Mono view ![]() Stereo pair view
Reference:
J.R.Corte,
T.Fang,
H.Osuna,
D.J.Pinto,
K.A.Rossi,
J.E.Myers,
S.Sheriff,
Z.Lou,
J.J.Zheng,
T.W.Harper,
J.M.Bozarth,
Y.Wu,
J.M.Luettgen,
D.A.Seiffert,
C.P.Decicco,
R.R.Wexler,
M.L.Quan.
Structure-Based Design of Macrocyclic Factor Xia Inhibitors: Discovery of the Macrocyclic Amide Linker. J. Med. Chem. V. 60 1060 2017.
Page generated: Fri Jul 26 17:30:39 2024
ISSN: ISSN 1520-4804 PubMed: 28085275 DOI: 10.1021/ACS.JMEDCHEM.6B01460 |
Last articlesZn in 9MJ5Zn in 9HNW Zn in 9G0L Zn in 9FNE Zn in 9DZN Zn in 9E0I Zn in 9D32 Zn in 9DAK Zn in 8ZXC Zn in 8ZUF |
© Copyright 2008-2020 by atomistry.com | ||
Home | Site Map | Copyright | Contact us | Privacy |