Modeling and subtleties of K-Ras and Calmodulin interaction.

ABSTRACT: K-Ras, one of the most common small GTPases of the cell, still presents many riddles, despite the intense efforts to unveil its mysteries. Such is the case of its interaction with Calmodulin, a small acidic protein known for its role as a calcium ion sensor. Although the interaction between these two proteins and its biological implications have been widely studied, a model of their interaction has not been performed. In the present work we analyse this intriguing interaction by computational means. To do so, both conventional molecular dynamics and scaled molecular dynamics have been used. Our simulations suggest a model in which Calmodulin would interact with both the hypervariable region and the globular domain of K-Ras, using a lobe to interact with each of them. According to the prese

SUBMITTER: Garrido E 

PROVIDER: S-EPMC6226203 | biostudies-literature | 2018 Oct

REPOSITORIES: biostudies-literature