5QTV

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate

Summary for 5QTV

Entry DOI	10.2210/pdb5qtv/pdb
Group deposition	FXIa (G_1002108)
Descriptor	Coagulation factor XI, methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate, SULFATE ION, ... (5 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)
Total number of polymer chains	1
Total formula weight	29229.37
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 Cited by PubMed: 31932224 DOI: 10.1016/j.bmcl.2020.126949 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation