Early-stage dynamics of chloride ion-pumping rhodopsin revealed by a femtosecond X-ray laser.
Ji-Hye YunXuanxuan LiJianing YueJae-Hyun ParkZeyu JinChufeng LiHao HuYingchen ShiSuraj PandeySergio CarbajoSébastien BoutetMark S HunterMengning LiangRaymond G SierraThomas J LaneLiang ZhouUwe WeierstallNadia A ZatsepinMio OhkiJeremy R H TameSam-Yong ParkJohn C H SpenceWenkai ZhangMarius SchmidtWeontae LeeHaiguang LiuPublished in: Proceedings of the National Academy of Sciences of the United States of America (2021)
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.
Keyphrases
- high resolution
- molecular dynamics simulations
- early stage
- high speed
- optical coherence tomography
- induced apoptosis
- molecular docking
- mass spectrometry
- single molecule
- magnetic resonance
- photodynamic therapy
- gene expression
- genome wide
- dual energy
- lymph node
- big data
- deep learning
- single cell
- optic nerve
- tandem mass spectrometry
- computed tomography
- dna methylation
- machine learning
- locally advanced
- neoadjuvant chemotherapy
- artificial intelligence