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Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods

Ksenia Borisovna Tereshkina 1
Ksenia Borisovna Tereshkina
, 
Vladislav V Kovalenko 1
Vladislav V Kovalenko
, 
Valentin Aleksandrovich Manuvera 2
Valentin Aleksandrovich Manuvera
, 
Eduard Vladimirovich Tereshkin 1
Eduard Vladimirovich Tereshkin
, 
Victoriya Vyacheslavovna Potokina 3
Victoriya Vyacheslavovna Potokina
, 
Yurii Fedorovich Krupyanskii 1
Yurii Fedorovich Krupyanskii
, 
Nataliya G Loiko 3
Nataliya G Loiko
1 N. N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 119991 Moscow, Russian Federation
2 Lopukhin Federal Research & Clinical Center of Physical-Chemical Medicine of Federal Medical Biological Agency, 119435 Moscow, Russian Federation
3 Federal Research Centre ‘Fundamentals of Biotechnology’ of the Russian Academy of Sciences, 119071 Moscow, Russian Federation
10.71267/mencom.7623
Published 2025-03-31
Communication , Volume 35, Issue 3, 307-309
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Tereshkina K. B. et al. Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods // Mendeleev Communications. 2025. Vol. 35. No. 3. pp. 307-309.
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Tereshkina K. B., Kovalenko V. V., Manuvera V. A., Tereshkin E. V., Potokina V. V., Krupyanskii Y. F., Loiko N. G. Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods // Mendeleev Communications. 2025. Vol. 35. No. 3. pp. 307-309.
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TY - JOUR
DO - 10.71267/mencom.7623
UR - https://mendcomm.colab.ws/publications/10.71267/mencom.7623
TI - Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods
T2 - Mendeleev Communications
AU - Tereshkina, Ksenia Borisovna
AU - Kovalenko, Vladislav V
AU - Manuvera, Valentin Aleksandrovich
AU - Tereshkin, Eduard Vladimirovich
AU - Potokina, Victoriya Vyacheslavovna
AU - Krupyanskii, Yurii Fedorovich
AU - Loiko, Nataliya G
PY - 2025
DA - 2025/03/31
PB - Mendeleev Communications
SP - 307-309
IS - 3
VL - 35
ER -
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@article{2025_Tereshkina,
author = {Ksenia Borisovna Tereshkina and Vladislav V Kovalenko and Valentin Aleksandrovich Manuvera and Eduard Vladimirovich Tereshkin and Victoriya Vyacheslavovna Potokina and Yurii Fedorovich Krupyanskii and Nataliya G Loiko},
title = {Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods},
journal = {Mendeleev Communications},
year = {2025},
volume = {35},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.71267/mencom.7623},
number = {3},
pages = {307--309},
doi = {10.71267/mencom.7623}
}
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Cite this
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Tereshkina, Ksenia Borisovna, et al. “Mechanisms of influence of divalent Mg cation on DNA--Dps complex revealed by molecular modeling methods.” Mendeleev Communications, vol. 35, no. 3, Mar. 2025, pp. 307-309. https://mendcomm.colab.ws/publications/10.71267/mencom.7623.

Keywords

Escherichia coli
classical molecular dynamics
divalent Mg cation
DNA--Dps complex
DNA-binding protein Dps

Abstract

The destructive effect of divalent cations Mg2+ 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 Mg2+ in the system increases, and important Mg2+ 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 Mg2+ cation leads to the weakening of their mutual bonds and destruction of the DNA--Dps complex.

Funders

Russian Science Foundation
23-24-00250

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