Atomistic simulation and modeling of active membrane transport (P25*)

主动膜运输的原子模拟和建模 (P25*)

• 批准号: 319163825
• 金额: --
• 依托单位: Max-Planck-Institut für Biophysik
• 依托单位国家: 德国
• 项目类别: Collaborative Research Centres
• 财政年份: 2016
• 资助国家: 德国
• 起止时间: 2015-12-31 至 2019-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/319163825?language=en
• 关键词: Atomistic; simulation; modeling; active; membrane

The mechanisms of FoF1 ATP synthase and of the ABC transporter TmrAB will be studied by molecular simulations and modeling. The central questions are how protons are taken up and released by the Fo motor of ATP synthase, how this drives the rotary motor, and how the Fo and F1 motors are coupled. For TmrAB, substrate binding and its coupling to the nucleotide-binding domains will be studied, as well as the functional conformational changes during a transport cycle.

FoF1 ATP合酶和ABC转运蛋白TmrAB的机制将通过分子模拟和建模进行研究。核心问题是ATP合酶的Fo马达如何吸收和释放质子，它如何驱动旋转马达，以及Fo和F1马达如何耦合。对于TmrAB，将研究底物结合及其与核苷酸结合结构域的偶联，以及转运周期中的功能构象变化。