首页 | 本学科首页   官方微博 | 高级检索  
   检索      


Retinal Flip in Rhodopsin Activation?
Authors:Jun Feng  Michael?F Brown  Blake Mertz
Institution:1.The C. Eugene Bennett Department of Chemistry, West Virginia University, Morgantown, West Virginia;2.Department of Chemistry and Biochemistry, University of Arizona, Tucson, Arizona;3.Department of Physics, University of Arizona, Tucson, Arizona
Abstract:Rhodopsin is a well-characterized structural model of a G protein-coupled receptor. Photoisomerization of the covalently bound retinal triggers activation. Surprisingly, the x-ray crystal structure of the active Meta-II state has a 180° rotation about the long-axis of the retinal polyene chain. Unbiased microsecond-timescale all-atom molecular dynamics simulations show that the retinal cofactor can flip back to the orientation observed in the inactive state of rhodopsin under conditions favoring the Meta-I state. Our results provide, to our knowledge, the first evidence from molecular dynamics simulations showing how rotation of the retinal ligand within its binding pocket can occur in the activation mechanism of rhodopsin.
Keywords:
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号