5MNY

Neutron structure of cationic trypsin in complex with aniline

5MNY の概要

• エントリーDOI: 10.2210/pdb5mny/pdb
• 分子名称: Cationic trypsin, CALCIUM ION, phenylazanium, ... (4 entities in total)
• 機能のキーワード: hydrogen bonding, protonation, protein-ligand interaction, hydrolase
• 由来する生物種: Bos taurus (Bovine)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23458.50

構造登録者

Schiebel, J.,Schrader, T.E.,Ostermann, A.,Heine, A.,Klebe, G. (登録日: 2016-12-13, 公開日: 2017-05-24, 最終更新日: 2024-01-17)

• 主引用文献: Schiebel, J.,Gaspari, R.,Sandner, A.,Ngo, K.,Gerber, H.D.,Cavalli, A.,Ostermann, A.,Heine, A.,Klebe, G.; Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.; Angew. Chem. Int. Ed. Engl., 56:4887-4890, 2017; PubMed: 28371253; DOI: 10.1002/anie.201701038

実験手法

NEUTRON DIFFRACTION (1.43 Å)