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]carbamate
Summary for 5Q0F
Entry DOI | 10.2210/pdb5q0f/pdb |
Group deposition | FXIa (G_1002032) |
Descriptor | Coagulation factor XI, MET-ASP-ASP-ASP-ASP-LYS-MET-ASP-ASN-GLU-CYS-THR-THR-LYS-ILE-LYS-PRO-ARG, 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, ... (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 |
Cellular location | Secreted: P03951 |
Total number of polymer chains | 2 |
Total formula weight | 31298.75 |
Authors | Sheriff, S. (deposition date: 2017-05-01, release date: 2017-07-12, Last modification date: 2018-02-21) |
Primary citation | Corte, J.R.,Yang, W.,Fang, T.,Wang, Y.,Osuna, H.,Lai, A.,Ewing, W.R.,Rossi, K.A.,Myers, J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Harper, T.W.,Bozarth, J.M.,Wu, Y.,Luettgen, J.M.,Seiffert, D.A.,Quan, M.L.,Wexler, R.R.,Lam, P.Y.S. Macrocyclic inhibitors of Factor XIa: Discovery of alkyl-substituted macrocyclic amide linkers with improved potency. Bioorg. Med. Chem. Lett., 27:3833-3839, 2017 Cited by PubMed: 28687203DOI: 10.1016/j.bmcl.2017.06.058 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.12 Å) |
Structure validation
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