Ontology highlight
ABSTRACT:
SUBMITTER: Lee Y
PROVIDER: S-EPMC5034350 | biostudies-literature | 2016 Sep
REPOSITORIES: biostudies-literature
Lee Yoonji Y Kim Songmi S Choi Sun S Hyeon Changbong C
Biophysical journal 20160901 6
Water molecules inside a G-protein coupled receptor (GPCR) have recently been spotlighted in a series of crystal structures. To decipher the dynamics and functional roles of internal water molecules in GPCR activity, we studied the A2A adenosine receptor using microsecond molecular-dynamics simulations. Our study finds that the amount of water flux across the transmembrane (TM) domain varies depending on the receptor state, and that the water molecules of the TM channel in the active state flow ...[more]