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

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. Results 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 monovalent 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.