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  4. W246(6.48) Opens a Gate for a Continuous Intrinsic Water Pathway during Activation of the Adenosine A(2A) Receptor
 
research article

W246(6.48) Opens a Gate for a Continuous Intrinsic Water Pathway during Activation of the Adenosine A(2A) Receptor

Yuan, Shuguang  
•
Hu, Zhenquan
•
Filipek, Slawomir
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2015
Angewandte Chemie International Edition

The question how G-protein-coupled receptors transduce an extracellular signal by a sequence of transmembrane conformational transitions into an intracellular response remains to be solved at molecular detail. Herein, we use molecular dynamics simulations to reveal distinct conformational transitions of the adenosine A(2A) receptor, and we found that the conserved W246(6.48) residue in transmembrane helix TM6 performs a key rotamer toggle switch. Agonist binding induces the sidechain of W246(6.48) to fluctuate between two distinct conformations enabling the diffusion of water molecules from the bulk into the center of the receptor. After passing the W246(6.48) gate, the internal water molecules induce another conserved residue, Y288(7.53), to switch to a distinct rotamer conformation establishing a continuous transmembrane water pathway. Further, structural changes of TM6 and TM7 induce local structural changes of the adjacent lipid bilayer.

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Type
research article
DOI
10.1002/anie.201409679
Web of Science ID

WOS:000347238800029

Author(s)
Yuan, Shuguang  
Hu, Zhenquan
Filipek, Slawomir
Vogel, Horst  
Date Issued

2015

Publisher

Wiley-VCH Verlag GmbH

Published in
Angewandte Chemie International Edition
Volume

54

Issue

2

Start page

556

End page

559

Subjects

G-protein-coupled receptor

•

molecular dynamics simulations

•

molecular switches

•

signal transduction

•

water channel

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCPPM  
Available on Infoscience
February 20, 2015
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/111280
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