Atomistic design of microbial opsin-based blue-shifted optogenetics tools.

ABSTRACT: Microbial opsins with a bound chromophore function as photosensitive ion transporters and have been employed in optogenetics for the optical control of neuronal activity. Molecular engineering has been utilized to create colour variants for the functional augmentation of optogenetics tools, but was limited by the complexity of the protein-chromophore interactions. Here we report the development of blue-shifted colour variants by rational design at atomic resolution, achieved through accurate hybrid molecular simulations, electrophysiology and X-ray crystallography. The molecular simulation models and the crystal structure reveal the precisely designed conformational changes of the chromophore induced by combinatory mutations that shrink its π-conjugated system which, together with electros

SUBMITTER: Kato HE 

PROVIDER: S-EPMC4479019 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature