Investigation of allosteric coupling in human β2-adrenergic receptor in the presence of intracellular loop 3.

ABSTRACT:

Background

This study investigates the allosteric coupling that exists between the intra- and extracellular parts of human β2-adrenergic receptor (β2-AR), in the presence of the intracellular loop 3 (ICL3), which is missing in all crystallographic experiments and most of the simulation studies reported so far. Our recent 1 μs long MD run has revealed a transition to the so-called very inactive state of the receptor, in which ICL3 packed under the G protein's binding cavity and completely blocked its accessibility to G protein. Simultaneously, an outward tilt of transmembrane helix 5 (TM5) caused an expansion of the extracellular ligand-binding site. In the current study, we performed independent runs with a total duration of 4 μs to further investigate the very inactive state with

SUBMITTER: Ozgur C 

PROVIDER: S-EPMC4930610 | biostudies-literature | 2016 Jul

REPOSITORIES: biostudies-literature