Yun Ji-Hye, Li Xuanxuan, Yue Jianing, Park Jae-Hyun, Jin Zeyu, Li Chufeng, Hu Hao, Shi Yingchen, Pandey Suraj, Carbajo Sergio, Boutet Sébastien, Hunter Mark S, Liang Mengning, Sierra Raymond G, Lane Thomas J, Zhou Liang, Weierstall Uwe, Zatsepin Nadia A, Ohki Mio, Tame Jeremy R H, Park Sam-Yong, Spence John C H, Zhang Wenkai, Schmidt Marius, Lee Weontae, Liu Haiguang
Department of Biochemistry, College of Life Sciences and Biotechnology, Yonsei University, Seodaemun-gu, 120-749 Seoul, South Korea.
Complex Systems Division, Beijing Computational Science Research Center, Haidian, 100193 Beijing, People's Republic of China.
Proc Natl Acad Sci U S A. 2021 Mar 30;118(13). doi: 10.1073/pnas.2020486118.
Chloride ion-pumping rhodopsin (ClR) in some marine bacteria utilizes light energy to actively transport Cl into cells. How the ClR initiates the transport is elusive. Here, we show the dynamics of ion transport observed with time-resolved serial femtosecond (fs) crystallography using the Linac Coherent Light Source. X-ray pulses captured structural changes in ClR upon flash illumination with a 550 nm fs-pumping laser. High-resolution structures for five time points (dark to 100 ps after flashing) reveal complex and coordinated dynamics comprising retinal isomerization, water molecule rearrangement, and conformational changes of various residues. Combining data from time-resolved spectroscopy experiments and molecular dynamics simulations, this study reveals that the chloride ion close to the Schiff base undergoes a dissociation-diffusion process upon light-triggered retinal isomerization.
一些海洋细菌中的氯离子泵浦视紫红质（ClR）利用光能将氯离子主动运输到细胞内。ClR如何启动运输尚不清楚。在此，我们展示了使用直线加速器相干光源通过时间分辨系列飞秒（fs）晶体学观察到的离子运输动力学。X射线脉冲捕捉到了用550纳米飞秒泵浦激光闪光照射后ClR的结构变化。五个时间点（从黑暗到闪光后100皮秒）的高分辨率结构揭示了包括视黄醛异构化、水分子重排以及各种残基构象变化在内的复杂且协同的动力学过程。结合时间分辨光谱实验和分子动力学模拟的数据，本研究揭示了靠近席夫碱的氯离子在光触发的视黄醛异构化过程中经历了解离 - 扩散过程。
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