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-carboxylate

Summary for 5QTX

• Entry DOI: 10.2210/pdb5qtx/pdb
• Group deposition: FXIa (G_1002108)
• Descriptor: Coagulation factor XI, 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, SULFATE ION, ... (6 entities in total)
• Functional Keywords: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 31392.86

Authors

Sheriff, S. (deposition date: 2019-11-13, release date: 2020-01-29, Last modification date: 2021-05-12)

• Primary citation: Fang, T.,Corte, J.R.,Gilligan, P.J.,Jeon, Y.,Osuna, H.,Rossi, K.A.,Myers Jr., J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Harper, T.W.,Bozarth, J.M.,Wu, Y.,Luettgen, J.M.,Seiffert, D.A.,Wexler, R.R.,Lam, P.Y.S.; Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.; Bioorg.Med.Chem.Lett., 30:126949-126949, 2020; PubMed: 31932224; DOI: 10.1016/j.bmcl.2020.126949

Experimental method

X-RAY DIFFRACTION (2.07 Å)