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Conformational Transitions of the Pituitary Adenylate Cyclase-Activating Polypeptide Receptor, a Human Class B GPCR.

Abstract：

:The G protein-coupled pituitary adenylate cyclase-activating polypeptide receptor (PAC1R) is a potential therapeutic target for endocrine, metabolic and stress-related disorders. However, many questions regarding the protein structure and dynamics of PAC1R remain largely unanswered. Using microsecond-long simulations, we examined the open and closed PAC1R conformations interconnected within an ensemble of transitional states. The open-to-closed transition can be initiated by "unzipping" the extracellular domain and the transmembrane domain, mediated by a unique segment within the β3-β4 loop. Transitions between different conformational states range between microseconds to milliseconds, which clearly implicate allosteric effects propagating from the extracellular face of the receptor to the intracellular G protein-binding site. Such allosteric dynamics provides structural and mechanistic insights for the activation and modulation of PAC1R and related class B receptors.

journal_name

Sci Rep

journal_title

Scientific reports

authors

Liao C,Zhao X,Brewer M,May V,Li J

doi

10.1038/s41598-017-05815-x

subject

Has Abstract

pub_date

2017-07-14 00:00:00

pages

5427

issue

1

issn

2045-2322

pii

10.1038/s41598-017-05815-x

journal_volume

7

pub_type

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