Laboratório de Biologia Teórica e Computacional, Departamento de Biologia Celular, Universidade de Brasília, DF 70910-900, Brasília, Brazil.
Laboratório de Biologia Teórica e Computacional, Departamento de Biologia Celular, Universidade de Brasília, DF 70910-900, Brasília, Brazil
Proc Natl Acad Sci U S A. 2014 Dec 9;111(49):17510-5. doi: 10.1073/pnas.1413971111. Epub 2014 Nov 24.
A dynamic transmembrane voltage field has been suggested as an intrinsic element in voltage sensor (VS) domains. Here, the dynamic field contribution to the VS energetics was analyzed via electrostatic calculations applied to a number of atomistic structures made available recently. We find that the field is largely static along with the molecular motions of the domain, and more importantly, it is minimally modified across VS variants. This finding implies that sensor domains transfer approximately the same amount of gating charges when moving the electrically charged S4 helix between fixed microscopic configurations. Remarkably, the result means that the observed operational diversity of the domain, including the extension, rate, and voltage dependence of the S4 motion, as dictated by the free energy landscape theory, must be rationalized in terms of dominant variations of its chemical free energy.
一种动态跨膜电压场被认为是电压传感器 (VS) 域中的固有元件。在这里,通过静电计算分析了最近提供的一些原子结构对 VS 能量学的动态场贡献。我们发现,该场与域的分子运动基本保持静态,更重要的是,它在 VS 变体中几乎没有变化。这一发现意味着,当 S4 螺旋在固定的微观构象之间移动时,传感器域会传递大致相同数量的门控电荷。值得注意的是,该结果意味着,根据自由能景观理论,该域的观察到的操作多样性,包括 S4 运动的延伸、速率和电压依赖性,必须根据其化学自由能的主导变化来合理化。