7V17

Factor XIa in Complex with Compound 2k

Summary for 7V17

Entry DOI	10.2210/pdb7v17/pdb
Descriptor	Coagulation factor XIa light chain, CITRIC ACID, 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine, ... (4 entities in total)
Functional Keywords	hydrolase, serine protease, coagulation factor, blood clotting
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	27554.56
Authors	Shaffer, P.L.,Milligan, C.M.,Cedervall, P. (deposition date: 2022-05-11, release date: 2022-08-03, Last modification date: 2023-10-18)
Primary citation	Xu, G.,Liu, Z.,Wang, X.,Lu, T.,DesJarlais, R.L.,Thieu, T.,Zhang, J.,Devine, Z.H.,Du, F.,Li, Q.,Milligan, C.M.,Shaffer, P.,Cedervall, P.E.,Spurlino, J.C.,Stratton, C.F.,Pietrak, B.,Szewczuk, L.M.,Wong, V.,Steele, R.A.,Bruinzeel, W.,Chintala, M.,Silva, J.,Gaul, M.D.,Macielag, M.J.,Nargund, R. Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions. J.Med.Chem., 65:10419-10440, 2022 Cited by PubMed: 35862732 DOI: 10.1021/acs.jmedchem.2c00442 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.522 Å)

Structure validation