2JJJ

Endothiapepsin in complex with a gem-diol inhibitor.

2JJJ の概要

• エントリーDOI: 10.2210/pdb2jjj/pdb
• 関連するPDBエントリー: 1E5O 1E80 1E81 1E82 1EED 1ENT 1EPL 1EPM 1EPN 1EPO 1EPP 1EPQ 1EPR 1ER8 1GKT 1GVT 1GVU 1GVV 1GVW 1GVX 1OD1 1OEW 1OEX 2ER0 2ER6 2ER7 2ER9 2JJI 2V00 2VS2 3ER3 3ER5 4APE 4ER1 4ER2 4ER4 5ER1 5ER2
• 関連するBIRD辞書のPRD_ID: PRD_000361
• 分子名称: ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION, ... (4 entities in total)
• 機能のキーワード: acid proteinase, aspartyl protease, zymogen, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: CRYPHONECTRIA PARASITICA (CHESNUT BLIGHT FUNGUS)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34965.03

構造登録者

Coates, L.,Tuan, H.-F.,Tomanicek, S.J.,Kovalevsky, A.,Mustyakimov, M.,Erskine, P.,Cooper, J. (登録日: 2008-04-09, 公開日: 2008-05-27, 最終更新日: 2023-11-15)

• 主引用文献: Coates, L.,Tuan, H.-F.,Tomanicek, S.J.,Kovalevsky, A.,Mustyakimov, M.,Erskine, P.,Cooper, J.; The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction; J.Am.Chem.Soc., 130:7235-, 2008; PubMed: 18479128; DOI: 10.1021/JA801269X

実験手法

X-RAY DIFFRACTION (1 Å)