5EXN

FACTOR XIA (C500S [C122S]) IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate

5EXN の概要

• エントリーDOI: 10.2210/pdb5exn/pdb
• 関連するPDBエントリー: 5EXL 5EXM
• 分子名称: Coagulation factor XIa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, methyl ~{N}-[4-[2-[(1~{S})-1-[[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate, ... (4 entities in total)
• 機能のキーワード: hydrolase, serine protease, coagulation factor, syntethic inhibitor, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted: P03951
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27657.74

構造登録者

Sheriff, S. (登録日: 2015-11-23, 公開日: 2016-04-13, 最終更新日: 2023-09-27)

• 主引用文献: Corte, J.R.,Fang, T.,Pinto, D.J.P.,Orwat, M.J.,Han, W.,Rendina, A.R.,Luettgen, J.M.,Rossi, K.A.,Wei, A.,Ramamurthy, V.,Myers Jr., J.E.,Sheriff, S.,Narayanan, R.,Harper, T.,Zheng, J.J.,Li, Y.-X.,Seiffert, D.A.,Wexler, R.R.,Quan, M.L.; Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group; Bioorg.Med.Chem., 24:2257-2272, 2016; PubMed: 27073051; DOI: 10.1016/j.bmc.2016.03.062

実験手法

X-RAY DIFFRACTION (1.49 Å)