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- W4313888030 abstract "G-protein-coupled receptors (GPCRs) are ubiquitous integral membrane proteins involved in diverse cellular signaling processes. Here, we carry out a large-scale ensemble thermodynamic study of 45 ligand-free GPCRs employing a structure-based statistical mechanical framework. We find that multiple partially structured states co-exist in the GPCR native ensemble, with the TM helices 1, 6 and 7 displaying varied folding status, and shaping the conformational landscape. Strongly coupled residues are anisotropically distributed, accounting for only 13% of the residues, illustrating that a large number of residues are inherently dynamic. Active-state GPCRs are characterized by reduced conformational heterogeneity with altered coupling-patterns distributed throughout the structural scaffold. In silico alanine-scanning mutagenesis reveals that extra- and intra-cellular faces of GPCRs are coupled thermodynamically, highlighting an exquisite structural specialization and the fluid nature of the intramolecular interaction network. The ensemble-based perturbation methodology presented here lays the foundation for understanding allosteric mechanisms and the effects of disease-causing mutations in GCPRs." @default.
- W4313888030 created "2023-01-10" @default.
- W4313888030 creator A5047736259 @default.
- W4313888030 creator A5063757352 @default.
- W4313888030 date "2023-01-09" @default.
- W4313888030 modified "2023-10-14" @default.
- W4313888030 title "Thermodynamic architecture and conformational plasticity of GPCRs" @default.
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- W4313888030 doi "https://doi.org/10.1038/s41467-023-35790-z" @default.
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- W4313888030 hasPublicationYear "2023" @default.
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