5EXN

FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate

Summary for 5EXN

Entry DOI	10.2210/pdb5exn/pdb
Related	5EXL 5EXM
Descriptor	Coagulation factor XIa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate, ... (4 entities in total)
Functional Keywords	hydrolase, serine protease, coagulation factor, syntethic inhibitor, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Secreted: P03951
Total number of polymer chains	1
Total formula weight	27657.74
Authors	Sheriff, S. (deposition date: 2015-11-23, release date: 2016-04-13, Last modification date: 2023-09-27)
Primary citation	Corte, J.R.,Fang, T.,Pinto, D.J.P.,Orwat, M.J.,Han, W.,Rendina, A.R.,Luettgen, J.M.,Rossi, K.A.,Wei, A.,Ramamurthy, V.,Myers Jr., J.E.,Sheriff, S.,Narayanan, R.,Harper, T.,Zheng, J.J.,Li, Y.-X.,Seiffert, D.A.,Wexler, R.R.,Quan, M.L. Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group Bioorg.Med.Chem., 24:2257-2272, 2016 Cited by PubMed: 27073051 DOI: 10.1016/j.bmc.2016.03.062 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.49 Å)

Structure validation