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Atomistry » Chlorine » PDB 5pb3-5q29 » 5q0f | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Atomistry » Chlorine » PDB 5pb3-5q29 » 5q0f » |
Chlorine in PDB 5q0f: Factor Xia in Complex with the Inhibitor Methyl [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]CarbamateEnzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]Carbamate
All present enzymatic activity of Factor Xia in Complex with the Inhibitor Methyl [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]Carbamate:
3.4.21.27; Protein crystallography data
The structure of Factor Xia in Complex with the Inhibitor Methyl [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]Carbamate, PDB code: 5q0f
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 [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]Carbamate
(pdb code 5q0f). 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 [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-Yl]Carbamate, PDB code: 5q0f: Chlorine binding site 1 out of 1 in 5q0fGo back to Chlorine Binding Sites List in 5q0f
Chlorine binding site 1 out
of 1 in the Factor Xia in Complex with the Inhibitor Methyl [(4R,5E,8S)-8-({(2E)- 3-[5-Chloro-2-(1H-Tetrazol-1-Yl)Phenyl]Prop-2-Enoyl}Amino)-4-Methyl- 2-Oxo-1,3,4,7,8,10-Hexahydro-2H-12,9-(Azeno)-1,10- Benzodiazacyclotetradecin-15-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: Sat Dec 12 12:15:38 2020
ISSN: ESSN 1464-3405 PubMed: 28687203 DOI: 10.1016/J.BMCL.2017.06.058 |
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