Dynamic behavior of the active and inactive states of the adenosine A(2A) receptor.

ABSTRACT: The adenosine A2A receptor (A2AR) belongs to the superfamily of membrane proteins called the G-protein-coupled receptors (GPCRs) that form one of the largest superfamilies of drug targets. Deriving thermostable mutants has been one of the strategies used for crystallization of A2AR in both the agonist and antagonist bound conformational states. The crystal structures do not reveal differences in the activation mechanism of the mutant receptors compared to the wild type receptor, that have been observed experimentally. These differences stem from the dynamic behavior of the mutant receptors. Furthermore, it is not understood how the mutations confer thermostability. Since these details are difficult to obtain from experiments, we have used atomic level simulations to elucidate the dynamic b

SUBMITTER: Lee S 

PROVIDER: S-EPMC3983344 | biostudies-literature | 2014 Mar

REPOSITORIES: biostudies-literature