Structural Significance of His73 in F-Actin Dynamics: Insights from Ab Initio Study.

ABSTRACT: F-actin dynamics (polymerization and depolymerization) are associated with nucleotide exchange, providing the driving forces for dynamic cellular activities. As an important residue in the nucleotide state-sensing region in actin, His73 is often found to be methylated in natural actin and directly participates in F-actin dynamics by regulating nucleotide exchange. The interaction between His73 and its neighboring residue, Gly158, has significance for F-actin dynamics. However, this weak chemical interaction is difficult to characterize using classic molecular modeling methods. In this study, ab initio modeling was employed to explore the binding energy between His73 and Gly158. The results confirm that the methyl group on the His73 side chain contributes to the structural stability of atom

SUBMITTER: Li T 

PROVIDER: S-EPMC9499316 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature