Mn²⁺ accelerates ligand-binding site activation of α_IIbβ₃ integrin: Insight from all-atom simulation.

ABSTRACT: The activation of integrins by Mn²⁺ is a crucial area of research, yet the underlying mechanisms remain poorly understood. Previous studies have shown that substituting Mg²⁺ with Mn²⁺ at the metal ion-dependent adhesion site (MIDAS) enhances the affinities of high-affinity open and low-affinity closed integrins. However, the molecular effect of Mn²⁺ and how it compares to physiological activation mediated by Mg²⁺/Ca²⁺ remain unclear. This is partly due to the lack of experimental techniques capable of detecting these processes dynamically. In this study, we used equilibrium molecular dynamics simulations to examine the effects of Mn²⁺ on the binding site of platelet integrin α_IIbβ₃. Our findi

SUBMITTER: Coffman RE 

PROVIDER: S-EPMC12443065 | biostudies-literature | 2025 Sep

REPOSITORIES: biostudies-literature