The role of different positively and negatively charged ions on the stability of the histone nucleosome core particle
Keywords:
Ab initio methods, DNA, histone, ions, nucleosome.Abstract
The role of different positively (Na+, K+, Mg2+) and negatively (Cl‾) charged ions on the interaction between the negatively charged PO4‾ group of DNA and the positively charged histone protein side chains of lysine and arginine amino acids have been investigated using ab initio quantum chemical methods. The analysis of the intermolecular interaction have shown that the positively charged ions polarize the negative charges on the PO4‾ group which weaken the electrostatic interaction between the negative side of the DNA and the positive part of the histone protein. Similarly, the negatively charged Cl‾ ion can drastically change the charge distribution on the positively charged lysine or arginine amino acids and again weaken the electrostatic interaction between the negative side of the DNA and the positive part of the histone protein.
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