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Atomistry » Chlorine » PDB 5pb4-5qa4 » 5q0g » |
Chlorine in PDB 5q0g: Factor Xia in Complex with the Inhibitor Methyl [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]CarbamateEnzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Methyl [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate, PDB code: 5q0g
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 [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate
(pdb code 5q0g). 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 [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate, PDB code: 5q0g: Chlorine binding site 1 out of 1 in 5q0gGo back to Chlorine Binding Sites List in 5q0g
Chlorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Methyl [(3R,7S)-7-({(2E)-3- [5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-3-Ethyl-2- Oxo-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecin-14-Yl]Carbamate
Mono view Stereo pair view
Reference:
J.R.Corte,
W.Yang,
T.Fang,
Y.Wang,
H.Osuna,
A.Lai,
W.R.Ewing,
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,
M.L.Quan,
R.R.Wexler,
P.Y.S.Lam.
Macrocyclic Inhibitors of Factor Xia: Discovery of Alkyl-Substituted Macrocyclic Amide Linkers with Improved Potency. Bioorg. Med. Chem. Lett. V. 27 3833 2017.
Page generated: Fri Jul 26 15:14:10 2024
ISSN: ESSN 1464-3405 PubMed: 28687203 DOI: 10.1016/J.BMCL.2017.06.058 |
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