5WVX

Crystal Structure of bifunctional Kunitz type Trypsin /amylase inhibitor (AMTIN) from the tubers of Alocasia macrorrhiza

5WVX の概要

• エントリーDOI: 10.2210/pdb5wvx/pdb
• 関連するPDBエントリー: 1AVA
• 分子名称: Trypsin/chymotrypsin inhibitor, 2-acetamido-2-deoxy-beta-D-galactopyranose, CITRIC ACID (3 entities in total)
• 機能のキーワード: kunitz type trypsin inhibitor, alpha amylase inhibitor, hydrolase inhibitor
• 由来する生物種: Alocasia macrorrhizos (Giant taro)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 40412.94

構造登録者

Palayam, M.,Radhakrishnan, M.,Lakshminarayanan, K.,Balu, K.E.,Ganapathy, J.,Krishnasamy, G. (登録日: 2016-12-29, 公開日: 2018-06-13, 最終更新日: 2024-11-06)

主引用文献

Palayam, M.,Ganapathy, J.,Balu, K.E.,Pennathur, G.,Krishnasamy, G.
Structural insights into a multifunctional inhibitor, 'AMTIN' from tubers of Alocasia macrorrhizos and its possible role in dengue protease (NS2B-NS3) inhibition.
Int. J. Biol. Macromol., 113:681-691, 2018

PubMed Abstract: Protease inhibitors from plants play major role in defensive mechanism against various pathogenic organisms. AMTIN from the tubers of Alocasia macrorrhiza has been purified and characterized as multi-functional Kunitz type protease inhibitor. AMTIN is varied from other KTIs by having three different loops specific for binding to trypsin/amylase and subtilisin that are located approximately 30Ǻ away from one another as evidenced from crystallographic efforts. Biochemical studies on AMTIN reveal simultaneous binding of protease/amylase and have been cross validated using in-silico tools to model Amylase - AMTIN - Trypsin complex without any steric clashes. Apart from multi functionality, the remarkable structural and functional stability of AMTIN at high temperature, presence of many phosphorylation, myristoylation and glycosylation sites and molecular docking studies with dengue viral protease (NS2B-NS3) makes this protein interesting. Hence AMTIN can be considered as a template to design effective antivirals against dengue virus.

PubMed: 29505868
DOI: 10.1016/j.ijbiomac.2018.03.010

実験手法

X-RAY DIFFRACTION (3.003 Å)