2BKS

crystal structure of Renin-PF00074777 complex

2BKS の概要

• エントリーDOI: 10.2210/pdb2bks/pdb
• 関連するPDBエントリー: 1AO5 1BBS 1BIL 1BIM 1E80 1E81 1E82 1EED 1HRN 1MPP 1PR7 1PR8 1QZ9 1RNE 1SMR 1UHQ 1W7L 1W7M 1W7N 2BKT 2PHV 2REN
• 分子名称: Renin, (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE (3 entities in total)
• 機能のキーワード: hydrolase, aspartic proteinase, aspartyl protease, glycoprotein, plasma, zymogen, polymorphism
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted: P00797
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 75121.72

構造登録者

Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Edmunds, J.J.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E. (登録日: 2005-02-18, 公開日: 2006-04-05, 最終更新日: 2021-07-21)

主引用文献

Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E.,Edmunds, J.J.
Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15:2371-, 2005

PubMed Abstract: We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.

PubMed: 15837327
DOI: 10.1016/J.BMCL.2005.02.085

実験手法

X-RAY DIFFRACTION (2.2 Å)