Effects of C-Terminal Lys-Arg Residue of AapA1 Protein on Toxicity and Structural Mechanism
Zanxia Cao,
Liling Zhao,
Tingting Yan
et al.
Abstract:Previous experimental investigations have established the indispensability of the C-terminal Lys-Arg residues in the toxic activity of the AapA1 toxin protein. AapA1 is classified as a type I toxin–antitoxin (TA) bacterial toxin, and the precise impact of the C-terminal Lys-Arg residues on its structure and mechanism of action remains elusive. To address this knowledge gap, the present study employed molecular dynamics (MD) and enhanced sampling Well-tempered Two-dimensional Metadynamics (2D-MetaD) simulations… Show more
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