The journal of physical chemistry. BMolecular Dynamics SimulationCatalytic DomainThermodynamicsLeucine-tRNA LigaseEscherichia coli
Mechanism and Free Energy Landscape of tRNA Charging at the Active Site of Leucyl tRNA Synthetase: A QM/MM Simulation Study with Enhanced Sampling.
Saheb Dutta, Nilashis Nandi, Amalendu Chandra
Published: 202510.1021/acs.jpcb.5c04954
Abstract
Leucyl-tRNA synthetase facilitates the transfer of leucine from leucyl-adenylate (Leu-AMP) to the 3'-terminal A76 of tRNALeu during the charging step of aminoacylation reaction. In the present study, we have investigated the charging step in leucyl t…
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