Radman, Katarina; Jelić Matošević, Zoe; Žilić, Dijana; Crnolatac, Ivo; Bregović, Nikola; Ilakovac Kveder, Marina; Piantanida, Ivo; Fernandes, Pedro A.; Leščić Ašler, Ivana; Bertoša, Branimir (2023) Structural and dynamical changes of the Streptococcus gordonii metalloregulatory ScaR protein induced by Mn2+ ion binding. International Journal of Biological Macromolecules, 253 (Part 8). ISSN 0141-8130
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Abstract
Divalent metal ions are essential micronutrients for many intercellular reactions. Maintaining their homeostasis is necessary for the survival of bacteria. In Streptococcus gordonii, one of the primary colonizers of the tooth surface, the cellular concentration of manganese ions (Mn2+) is regulated by the manganese-sensing transcriptional factor ScaR which controls the expression of proteins involved in manganese homeostasis. To resolve the molecular mechanism through which the binding of Mn2+ ions increases the binding affinity of ScaR to DNA, a variety of computational (QM and MD) and experimental (ITC, DSC, EMSA, EPR, and CD) methods were applied. The computational results showed that Mn2+ binding induces a conformational change in ScaR that primarily affects the position of the DNA binding domains and, consequently, the DNA binding affinity of the protein. In addition, experimental results revealed a 1:4 binding stoichiometry between ScaR dimer and Mn2+ ions, while the computational results showed that the binding of Mn2+ ions in the primary binding sites is sufficient to induce the observed conformational change of ScaR.
| Item Type: | Article | ||||||||
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| Uncontrolled Keywords: | transcriptional factor ScaR; metalloregulatory proteins; allostery | ||||||||
| Subjects: | NATURAL SCIENCES > Physics > Biophysics and Medical Physics NATURAL SCIENCES > Biology > Biochemistry and Molecular Biology |
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| Divisions: | Division of Physical Chemistry Division of Organic Chemistry and Biochemistry |
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| Depositing User: | Ivana Leščić Ašler | ||||||||
| Date Deposited: | 11 Dec 2025 12:03 | ||||||||
| URI: | http://fulir.irb.hr/id/eprint/10352 | ||||||||
| DOI: | 10.1016/j.ijbiomac.2023.127572 |
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