论文部分内容阅读
ADP-ribosylhydrolases(ARHI,ARH2 and ARH3)are a family of enzymes to catalyze ADP-ribosylation,a reversible and covalent post-translational modification(PTM).There are four phosphorylated sites(Tyr-4,Tyr-19,Tyr-20,and Tyr-205)in ARHI.To explore the structural changesand functional impact induced byphosphorylation,molecular dynamics(MD)simulations and steered molecular dynamics(SMD)simulations were performedfor the phosphorylated and non-phosphorylated ARHI with the ligands.