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

3K9X の概要

• エントリーDOI: 10.2210/pdb3k9x/pdb
• 関連するPDBエントリー: 3ECN
• 分子名称: PROTEIN (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)
• 機能のキーワード: serine 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
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted: P00742 P00742
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 75881.82

構造登録者

Klei, H.E.,Kish, K.,Ghosh, K.,Rushith, A. (登録日: 2009-10-16, 公開日: 2009-12-15, 最終更新日: 2017-11-01)

• 主引用文献: Shi, 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; PubMed: 19896847; DOI: 10.1016/j.bmcl.2009.10.084

実験手法

X-RAY DIFFRACTION (1.9 Å)