Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods
The destructive effect of divalent cations Mg<sup>2+</sup> on the crystal structure of the DNA--Dps complex was explored. It was shown using the classical molecular dynamics methods that this effect resulted from a decrease of interaction between the N-termini of the Dps protein and DNA when the concentration of Mg<sup>2+</sup> in the system increases, and important Mg<sup>2+</sup> binding sites in the protein and DNA molecules were determined. It is concluded that the preferential interaction of DNA and protein oxygen atoms with the Mg<sup>2+</sup> cation leads to the weakening of their mutual bonds and destruction of the DNA--Dps complex.
Authors
- Н. Г. Лойко (ORCID: https://orcid.org/0000-0001-5204-007X)
- Victoriya V Potokina
- Э. В. Терешкин (ORCID: https://orcid.org/0000-0001-6091-7476)
- V. V. Kovalenko (ORCID: https://orcid.org/0000-0001-9851-8358)
- Valentin A. Manuvera (ORCID: https://orcid.org/0000-0002-2471-0563)
- К. Б. Терешкина (ORCID: https://orcid.org/0000-0003-1165-5224)
- Yurii F. Krupyanskii (ORCID: https://orcid.org/0000-0002-2994-4799)
Institutions
- Russian Academy of Sciences (RU)
- Semenov Institute of Chemical Physics (RU)
- Federal Research Centre «Fundamentals of Biotechnology» of the Russian Academy of Sciences (RU)
- Federal Medical-Biological Agency (RU)
Publication Details
- Journal
- Mendeleev Communications
- Published
- 2025-01-01
- DOI
- https://doi.org/10.71267/mencom.7623
- Primary Topic
- DNA and Nucleic Acid Chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- Russian Science Foundation