由Mn2+离子结合诱导的Streptococcus gordonii金属调节ScaR蛋白的结构和动态变化
Katarina Radman1, Zoe Jelić Matošević1, Dijana Žilić2
1Department of Chemistry, Faculty of Science, University of Zagreb, Horvatovac 102a, 10000 Zagreb, Croatia.
International journal of biological macromolecules
|October 22, 2023
概括
离子 (Mn2+) 通过与ScaR蛋白结合来调节细菌的生存. 这种结合会导致形状变化,增加ScaRR.
科学领域:
- 微生物学 微生物学
- 分子生物学分子生物学
- 生物化学 生物化学
背景情况:
- 二元金属离子,如 (Mn2+),是细菌细胞间反应和生存的关键微量营养素.
- 维持平衡对于细菌生命至关重要,特别是对于像*Streptococcus gordonii*这样的口腔细菌.
- 感应的转录因子ScaR通过控制基因表达来调节 *S. gordonii* 中的稳态.
研究的目的:
- 阐明Mn2+结合增强ScaR蛋白的DNA结合亲和力的分子机制.
- 了解离子度是如何在*Streptococcus gordonii*中在分子水平上受到调节的.
主要方法:
- 计算方法包括量子力学 (QM) 和分子动力学 (MD) 模拟.
- 实验技术包括异热定位热量测量 (ITC),差分扫描热量测量 (DSC),电泳运动移位测试 (EMSA),电子偏磁共振 (EPR) 和循环二元化 (CD).
主要成果:
- 计算分析显示,Mn2+结合会诱导ScaR的结构变化,改变其DNA结合域的定位.
- 这种形状变化直接影响ScaR.的DNA结合亲和力.
- 实验数据表明,ScaR二次体和Mn2+离子之间存在1:4的结合石化学.
- 计算结果证实,Mn2+在主要部位的结合足以触发ScaR.的观察到的构造变化.
结论:
- 与ScaR结合的Mn2+是增强其与DNA亲和力的关键事件.
- 由Mn2+引起的构造变化对于调节Streptococcus gordonii*中的平衡至关重要.
- 综合计算和实验方法为ScaR调节的分子机制提供了详细的了解.
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