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Fluorine in PDB 5wb6: Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]CarbamateEnzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate, PDB code: 5wb6
was solved by
S.Sheriff,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Other elements in 5wb6:
The structure of Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate also contains other interesting chemical elements:
Fluorine Binding Sites:
The binding sites of Fluorine atom in the Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate
(pdb code 5wb6). 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 Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate, PDB code: 5wb6: Fluorine binding site 1 out of 1 in 5wb6Go back to Fluorine Binding Sites List in 5wb6
Fluorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Methyl [(11S)-11-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-6-Fluoro-2-Oxo- 1,3,4,10,11,13-Hexahydro-2H-5,9:15,12-Di(Azeno)-1,13- Benzodiazacycloheptadecin-18-Yl]Carbamate
Mono view Stereo pair view
Reference:
C.Wang,
J.R.Corte,
K.A.Rossi,
J.M.Bozarth,
Y.Wu,
S.Sheriff,
J.E.Myers,
J.M.Luettgen,
D.A.Seiffert,
R.R.Wexler,
M.L.Quan.
Macrocyclic Factor Xia Inhibitors. Bioorg. Med. Chem. Lett. V. 27 4056 2017.
Page generated: Sun Dec 13 12:41:36 2020
ISSN: ESSN 1464-3405 PubMed: 28780160 DOI: 10.1016/J.BMCL.2017.07.048 |
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