Comparison of Coarse-Grained and Atomistic-Level Simulations for Aminoacyl-tRNA Synthetases

Abstract

Aminoacyl-tRNA synthetases (AARSs) are a group of multi-domain enzymes responsible for catalyzing the covalent attachment of an amino acid to the cognate tRNA forming an aminoacyl-tRNA. In this study, both atomistic-level and coarse-grained dynamic simulations were conducted on Escherichia coli methionyl-tRNA synthetase (Ec MetRS), Enterococcus faecalis prolyl-tRNA synthetase (Ef ProRS), and Thermus Thermophilus leucyl-tRNA synthetase (Tt LeuRS).