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首页> 外文期刊>Biochemistry >Comparative simulations of the ground state and the M-intermediate state of the sensory rhodopsin II-transducer complex with a HAMP domain model
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Comparative simulations of the ground state and the M-intermediate state of the sensory rhodopsin II-transducer complex with a HAMP domain model

机译：具有HAMP域模型的接地状态的对比模拟和感觉rodopsin II-换能器复合物的M-中间状态

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摘要

The complex of sensory rhodopsin II (SRII) and its cognate transducer HtrII (2:2 SRII-HtrII complex) consists of a photoreceptor and its signal transducer, respectively, associated with negative phototaxis in extreme halophiles. In this study to investigate how photoexcitation in SRII affects the structures of the complex, we conducted two series of molecular dynamics simulations of the complex of SRII and truncated HtrII (residues 1-136) of Natronomonas pharaonis linked with a modeled HAMP domain in the lipid bilayer using the two crystal structures of the ground state and the M-intermediate state as the starting structures. The simulation results showed significant enhancements of the structural differences observed between the two crystal structures. Helix F of SRII showed an outward motion, and the C-terminal end of transmembrane domain 2 (TM2) in HtrII rotated by ～10°. The most significant structural changes were observed in the overall orientations of the two SRII molecules, closed in the ground state and open in the M-state. This change was attributed to substantial differences in the structure of the four-helix bundle of the HtrII dimer causing the apparent rotation of TM2. These simulation results established the structural basis for the various experimental observations explaining the structural differences between the ground state and the M-intermediate state.
机译：感觉罗二元蛋白II（SRII）的复合物及其同源换能器HTRII（2：2 SRII-HTRII复合物）分别由光感受器及其信号传感器组成，与极端卤素中的负光晶相关联。在该研究中，调查SRII的光呼吸如何影响复合物的结构，我们对脂质中的模型Hamp结构域连接的NatronomonasPharaonis的SRII和截短的HTRII（残基1-136）的复合物进行了两次分子动力学模拟。双层使用地面的两个晶体结构和M-中间状态作为起动结构。仿真结果表明，两个晶体结构之间观察到的结构差异的显着增强。 SRII的螺旋F显示出外部运动，并且HTRII中的跨膜结构域2（TM2）的C末端末端旋转〜10°。在两个SRII分子的总体方向上观察到最显着的结构变化，在地面状态下关闭并在M状态下开放。这种变化归因于HTRII二聚体的四螺旋束的结构的显着差异，从而导致TM2的表观旋转。这些仿真结果为各种实验观察的结构基础建立了解释地面和M-中间状态之间的结构差异的结构基础。

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  • 来源
    《Biochemistry》 |2012年第30期|共9页
  • 作者

    Nishikata K.; Ikeguchi M.; Kidera A.;

  • 作者单位

    Graduate School of Nanobioscience Yokohama City University Yokohama 230-0045 Japan;

    Graduate School of Nanobioscience Yokohama City University Yokohama 230-0045 Japan;

    Graduate School of Nanobioscience Yokohama City University Yokohama 230-0045 Japan;

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  • 正文语种 eng
  • 中图分类 生物化学;
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