4X8V

FACTOR VIIA IN COMPLEX WITH THE INHIBITOR (methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate)

4X8V の概要

• エントリーDOI: 10.2210/pdb4x8v/pdb
• 関連するPDBエントリー: 4X8S 4X8T 4X8U
• 分子名称: Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), methyl {3-[(2R)-1-{(2R)-2-(3,4-dimethoxyphenyl)-2-[(1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl)amino]acetyl}pyrrolidin-2-yl]-4-(propan-2-ylsulfonyl)phenyl}carbamate, ... (7 entities in total)
• 機能のキーワード: glycoprotein, hydrolase, serine protease, plasma, blood coagulation factor, protein inhibitor complex, calcium- binding, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Secreted: P08709 P08709
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 35311.31

構造登録者

Wei, A. (登録日: 2014-12-10, 公開日: 2015-03-25, 最終更新日: 2015-04-08)

• 主引用文献: Cheney, D.L.,Bozarth, J.M.,Metzler, W.J.,Morin, P.E.,Mueller, L.,Newitt, J.A.,Nirschl, A.H.,Rendina, A.R.,Tamura, J.K.,Wei, A.,Wen, X.,Wurtz, N.R.,Seiffert, D.A.,Wexler, R.R.,Priestley, E.S.; Discovery of Novel P1 Groups for Coagulation Factor VIIa Inhibition Using Fragment-Based Screening.; J.Med.Chem., 58:2799-2808, 2015; PubMed: 25764119; DOI: 10.1021/jm501982k

実験手法

X-RAY DIFFRACTION (2.5 Å)