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Coupled dynamics of charged macromolecules and counterions mediated by binding enzymes
bioRxiv - Biophysics Pub Date : 2021-06-22 , DOI: 10.1101/2021.06.21.449292
Tapas Singha , Siao-Fong Li , Murugappan Muthukumar

We investigate the role of active coupling on the transport properties of the macromolecules. The active coupling comes due to bound enzymes with a segment of the macromolecule wherein the enzyme exerts an electrostatic force on the segment of the macromolecule, and eventually, it gets unbound due to the thermal fluctuations. This binding and unbinding process generates active fluctuations in the dynamics of the macromolecule. Starting with segment dynamics and correlations for three dynamical models with active coupling, we obtain the cooperative diffusivity for the realistic charged macromolecules with hydrodynamics. First, we construct the three models by incorporating the features of a real polymer systematically, starting from simple Rouse dynamics with active coupling. We further include segment-segment interactions and in addition, hydrodynamic interactions with active coupling. Our obtained scaling form for segment-segment correlations for the models in terms of the size exponent of the polymer indicating that hydrodynamic and segment-segment interactions along with the active coupling lead to new scaling regimes. We finally study the dynamics of a homogeneously charged flexible polymer in an infinitely dilute solution where enzymes and counterions affect the dynamics of the polymers. We analytically investigate how these active fluctuations affect the coupled dynamics of the polymer and counterions. It turns out that these active fluctuations enhance the effective diffusivity of the polymer. The derived closed-form expression for diffusivity is pertinent to accurate interpretation of light scattering data on multi-component systems with binding-unbinding equilibria.

中文翻译:

结合酶介导的带电大分子和反离子的耦合动力学

我们研究了主动耦合对大分子传输特性的作用。主动偶联是由于酶与大分子的一段结合而产生的,其中酶对大分子的一段施加静电力,最终由于热波动而解离。这种结合和解除结合的过程会在大分子的动力学中产生积极的波动。从具有主动耦合的三个动力学模型的段动力学和相关性开始,我们获得了具有流体动力学的现实带电大分子的协同扩散率。首先,我们通过系统地结合真实聚合物的特征来构建三个模型,从具有主动耦合的简单 Rouse 动力学开始。我们进一步包括细分市场互动,此外,与主动耦合的流体动力学相互作用。我们根据聚合物的尺寸指数获得了模型的段-段相关性的缩放形式,表明流体动力学和段-段相互作用以及主动耦合导致了新的缩放机制。我们最终研究了在无限稀溶液中均质带电的柔性聚合物的动力学,其中酶和反离子会影响聚合物的动力学。我们分析研究了这些主动波动如何影响聚合物和反离子的耦合动力学。事实证明,这些主动波动增强了聚合物的有效扩散率。扩散系数的派生闭式表达式与具有结合-解结合平衡的多组分系统的光散射数据的准确解释有关。
更新日期:2021-06-25
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