Figure 6.

Molecular dynamics of MnSOD upon its acetylation status. (a) The MnSOD-K68 acetylation locates at the α1/α2 helical structure of the MnSOD monomer. (b) Molecular dynamic simulation shows the charge distribution at K68 during its WT state, acetylation state or acetylation mimetic (MnSOD^K68Q). Blue color indicates positive charge distribution and red color indicates negative charge distribution. (c) A close-up view of the charge distribution and structural change around MnSOD-K68 is displayed. The green ball indicates the Mn²⁺ location.