Quantification of the stiffness and strength of cadherin ectodomain binding with different ions

作     者：Zhiyang Xu Dechang Li Baohua Ji 

作者机构：Biomechanics and Biomaterials Laboratory Department of Applied MechanicsBeijing Institute of Technology 

出 版 物：《Theoretical & Applied Mechanics Letters》 (力学快报（英文版）)

年 卷 期：2014年第4卷第3期

页      面：55-60页

学科分类：0710[理学-生物学] 071010[理学-生物化学与分子生物学] 081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 

基　　金：supported by the National Natural Science Foundation of China(11025208,11221202,11372042,and 11202026) the Excellent Young Scholars Research Fund of Beijing Institute of Technology 

主　　题：cell-cell adhesion cadherin stiffness strength molecular dynamic simulations 

摘      要：The stiffness and strength of extracellular （EC） region of cadherin are proposed to be two important mechanical properties both for cadherin as a mechanotransductor and for the formation of cell-cell adhesion. In this study, we quantitatively characterized the stiffness and strength of EC structure when it binds with different types of ions by molecular dynamics simulations. Resuits show that EC structure exhibits a rod-like shape with high stiffness and strength when it binds with the bivalent ions of calcium or magnesium. However, it switches to a soft and collapsed conformation when it binds with the monova- lent ions of sodium or potassium. This study sheds light on the important role of the bivalent ions of calcium in the physiological function of EC.