1FZZ

THE CRYSTAL STRUCTURE OF THE COMPLEX OF NON-PEPTIDIC INHIBITOR ONO-6818 AND PORCINE PANCREATIC ELASTASE.

1FZZ の概要

• エントリーDOI: 10.2210/pdb1fzz/pdb
• 分子名称: ELASTASE 1, 2-(5-AMINO-6-OXO-2-PHENYL-6H-PYRIMIDIN-1-YL)-N-[2-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)-1-(METHYLETHYL)-2-HYDROXYETHYL]ACETAMIDE (3 entities in total)
• 機能のキーワード: enzyme-inhibitor complex, hydrolase
• 由来する生物種: Sus scrofa (pig)
• 細胞内の位置: Secreted: P00772
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 26383.54

構造登録者

Odagaki, Y.,Ohmoto, K.,Matsuoka, S.,Hamanaka, N.,Nakai, H.,Toda, M.,Katsuya, Y. (登録日: 2000-10-04, 公開日: 2001-10-04, 最終更新日: 2024-12-25)

主引用文献

Odagaki, Y.,Ohmoto, K.,Matsuoka, S.,Hamanaka, N.,Nakai, H.,Toda, M.,Katsuya, Y.
The crystal structure of the complex of non-peptidic inhibitor of human neutrophil elastase ONO-6818 and porcine pancreatic elastase.
Bioorg.Med.Chem., 9:647-651, 2001

PubMed Abstract: The crystal structure of a new inhibitor of human neutrophil elastase (HNE), N-[2-[5-(tert-butyl)-1,3,4-oxadiazol-2-yl]-(IRS)-1-(methylethyl)-2-oxoethyl]-2-(5-amino-6-oxo-2-phenyl-6H-pyrimidin-1-ly)acetamide (ONO-6818, 1) complexed to porcine pancreatic elastase (PPE) has been determined at 1.86 A resolution. Analytical results provided evidence of a 1:1 complex in which the electrophilic ketone of 1 covalently bound to O gamma of Ser195 at the active site of PPE. The role of the unique electron-withdrawing ketone of 1 has been elucidated.

PubMed: 11310599
DOI: 10.1016/S0968-0896(00)00277-7

実験手法

X-RAY DIFFRACTION (1.86 Å)