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3K9X

X-ray crystal structure of human fxa in complex with (S)-N-((2-METHYLBENZOFURAN-5-YLAMINO)(2-OXO-1-(2-OXO-2- (PYRROLIDIN-1-YL)ETHYL)AZEPAN-3- YLAMINO)METHYLENE)NICOTINAMIDE

Summary for 3K9X
Entry DOI10.2210/pdb3k9x/pdb
Related3ECN
DescriptorPROTEIN (Coagulation factor X), GLYCEROL, N-{N'-(2-methyl-1-benzofuran-5-yl)-N-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]carbamimidoyl}pyridine-3-carboxamide, ... (7 entities in total)
Functional Keywordsserine protease, hydrolase, epidermal growth factor like domain, blood coagulation factor, cleavage on pair of basic residues, egf-like domain, gamma-carboxyglutamic acid, glycoprotein, hydroxylation, zymogen, blood clotting, blood coagulation, disulfide bond, protease, secreted
Biological sourceHomo sapiens (human)
More
Cellular locationSecreted: P00742 P00742
Total number of polymer chains4
Total formula weight75881.82
Authors
Klei, H.E.,Kish, K.,Ghosh, K.,Rushith, A. (deposition date: 2009-10-16, release date: 2009-12-15, Last modification date: 2017-11-01)
Primary citationShi, Y.,Li, C.,O'Connor, S.P.,Zhang, J.,Shi, M.,Bisaha, S.N.,Wang, Y.,Sitkoff, D.,Pudzianowski, A.T.,Huang, C.,Klei, H.E.,Kish, K.,Yanchunas, J.,Liu, E.C.,Hartl, K.S.,Seiler, S.M.,Steinbacher, T.E.,Schumacher, W.A.,Atwal, K.S.,Stein, P.D.
Aroylguanidine-based factor Xa inhibitors: the discovery of BMS-344577
Bioorg.Med.Chem.Lett., 19:6882-6889, 2009
Cited by
PubMed: 19896847
DOI: 10.1016/j.bmcl.2009.10.084
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.9 Å)
Structure validation

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