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Chlorine in PDB 5tku: Factor Xia in Complex with the Inhibitor Methyl ((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),2,4,6,16(19)-Pentaen-5- Yl)CarbamateEnzymatic activity of Factor Xia in Complex with the Inhibitor Methyl ((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),2,4,6,16(19)-Pentaen-5- Yl)Carbamate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Methyl ((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),2,4,6,16(19)-Pentaen-5- Yl)Carbamate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Methyl ((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),2,4,6,16(19)-Pentaen-5- Yl)Carbamate, PDB code: 5tku
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 ((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),2,4,6,16(19)-Pentaen-5- Yl)Carbamate
(pdb code 5tku). 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 ((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),2,4,6,16(19)-Pentaen-5- Yl)Carbamate, PDB code: 5tku: Chlorine binding site 1 out of 1 in 5tkuGo back to Chlorine Binding Sites List in 5tku
Chlorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Methyl ((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),2,4,6,16(19)-Pentaen-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: Sat Dec 12 12:28:41 2020
ISSN: ISSN 1520-4804 PubMed: 28085275 DOI: 10.1021/ACS.JMEDCHEM.6B01460 |
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