Distinctive communication networks in inactive states of β2 -adrenergic receptor: Mutual information and entropy transfer analysis

Proteins
Nuray Sogunmez, Ebru Demet Akten

Abstract

Mutual information and entropy transfer analysis employed on two inactive states of human beta-2 adrenergic receptor (β2 -AR) unraveled distinct communication pathways. Previously, a so-called "highly" inactive state of the receptor was observed during 1.5 microsecond long molecular dynamics simulation where the largest intracellular loop (ICL3) was swiftly packed onto the G-protein binding cavity, becoming entirely inaccessible. Mutual information quantifying the degree of correspondence between backbone-Cα fluctuations was mostly shared between intra- and extra-cellular loop regions in the original inactive state, but shifted to entirely different regions in this latest inactive state. Interestingly, the largest amount of mutual information was always shared among the mobile regions. Irrespective of the conformational state, polar residues always contributed more to mutual information than hydrophobic residues, and also the number of polar-polar residue pairs shared the highest degree of mutual information compared to those incorporating hydrophobic residues. Entropy transfer, quantifying the correspondence between backbone-Cα fluctuations at different timesteps, revealed a distinctive pathway directed from the extracellular ...Continue Reading

References

May 1, 1989·FASEB Journal : Official Publication of the Federation of American Societies for Experimental Biology·C D StraderR A Dixon
Jul 1, 1987·Proceedings of the National Academy of Sciences of the United States of America·C D StraderR A Dixon
Sep 16, 2000·Physical Review Letters·T Schreiber
Feb 13, 2001·Biophysical Journal·A R AtilganI Bahar
Feb 22, 2001·Science·J C VenterX Zhu
Sep 24, 2004·Proteins·K GunasekaranRuth Nussinov
Oct 26, 2005·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·C J CellucciP E Rapp
Apr 18, 2007·Proceedings of the National Academy of Sciences of the United States of America·Prashen ChelikaniH Gobind Khorana
Apr 23, 2008·Current Protocols in Bioinformatics·Narayanan EswarAndrej Sali
Mar 5, 2009·Proceedings of the National Academy of Sciences of the United States of America·Ron O DrorDavid E Shaw
May 22, 2009·Nature·Daniel M RosenbaumBrian K Kobilka
Sep 16, 2009·Biophysical Journal·Hiqmet Kamberaj, Arjan van der Vaart
Oct 8, 2011·PLoS Computational Biology·Kateri H DubayPhillip L Geissler
Oct 28, 2011·Proceedings of the National Academy of Sciences of the United States of America·Ron O DrorDavid E Shaw
Feb 10, 2012·Current Pharmaceutical Design·Ruth Nussinov, Chung-Jung Tsai
May 5, 2012·Biochemical Pharmacology·Peter J Flor, Francine C Acher
Feb 5, 2013·Cell·Rie NygaardBrian K Kobilka
Oct 12, 2013·Annual Review of Pharmacology and Toxicology·Cody J WenthurCraig W Lindsley
Nov 12, 2013·BMC Structural Biology·Ozer OzcanEbru Demet Akten
Feb 12, 2014·PLoS Computational Biology·Chung-Jung Tsai, Ruth Nussinov
Feb 19, 2014·Current Opinion in Cell Biology·Aashish Manglik, Brian Kobilka
Apr 18, 2014·Nature·Hesam N MotlaghVincent J Hilser
Jul 17, 2014·Biophysical Journal·Supriyo Bhattacharya, Nagarajan Vaidehi
May 3, 2015·The Journal of Biological Chemistry·Ping ZhangAthan Kuliopulos
May 4, 2018·Nature·Naomi R LatorracaRon O Dror
Jun 22, 2018·Annual Review of Biochemistry·William I Weis, Brian K Kobilka

❮ Previous
Next ❯

Related Concepts

Related Feeds

Adrenergic Receptors: Trafficking

Adrenergic receptor trafficking is an active physiological process where adrenergic receptors are relocated from one region of the cell to another or from one type of cell to another. Discover the latest research on adrenergic receptor trafficking here.