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Atomistry » Chlorine » PDB 5qte-5r98 » 5qtx » |
Chlorine in PDB 5qtx: Factor Xia in Complex with the Inhibitor Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-CarboxylateEnzymatic activity of Factor Xia in Complex with the Inhibitor Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate, PDB code: 5qtx
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 Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate
(pdb code 5qtx). 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 Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate, PDB code: 5qtx: Chlorine binding site 1 out of 1 in 5qtxGo back to Chlorine Binding Sites List in 5qtx
Chlorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Ethyl (2R,7S)-7-({(2E)-3-[5- Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-14- [(Methoxycarbonyl)Amino]-1,2,3,4,5,6,7,9-Octahydro-11,8-(Azeno)-1,9- Benzodiazacyclotridecine-2-Carboxylate
Mono view Stereo pair view
Reference:
T.Fang,
J.R.Corte,
P.J.Gilligan,
Y.Jeon,
H.Osuna,
K.A.Rossi,
J.E.Myers Jr.,
S.Sheriff,
Z.Lou,
J.J.Zheng,
T.W.Harper,
J.M.Bozarth,
Y.Wu,
J.M.Luettgen,
D.A.Seiffert,
R.R.Wexler,
P.Y.S.Lam.
Orally Bioavailable Amine-Linked Macrocyclic Inhibitors of Factor Xia. Bioorg.Med.Chem.Lett. 26949 2020.
Page generated: Sat Dec 12 12:18:47 2020
ISSN: ESSN 1464-3405 PubMed: 31932224 DOI: 10.1016/J.BMCL.2020.126949 |
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