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α1A-adrenoceptor inverse agonists and agonists modulate receptor signalling through a conformational selection mechanism

Gooley, P. R.; Wu, F.; Williams, L. M.; Abdul-Ridha, A.; Gunatilaka, A.; Vaid, T. M.; Kocan, M.; Whitehead, A. R.; Griffin, M.; Bathgate, R. A. D.; Scott, D. J.

2019-12-07 biochemistry
10.1101/866475 bioRxiv
Show abstract

G-Protein Coupled Receptors (GPCRs) transmit signals across the cell membrane via an allosteric network from the ligand-binding site to the G-protein binding site via a series of conserved microswitches. Crystal structures of GPCRs provide snapshots of inactive and active states, but poorly describe the conformational dynamics of the allosteric network that underlies GPCR activation. Here we analyse the correlation between ligand binding and receptor conformation of the 1A-adrenoceptor, known for stimulating smooth muscle contraction in response to binding noradrenaline. NMR of 13C{varepsilon}H3-methionine labelled 1A-adrenoreceptor mutants, each exhibiting differing signalling capacities, revealed how different classes of ligands modulate receptor conformational equilibria. 13C{varepsilon}H3-methionine residues near the microswitches revealed distinct states that correlated with ligand efficacies, supporting a conformational selection mechanism. We propose that allosteric coupling between the microswitches controls receptor conformation and underlies the mechanism of ligand modulation of GPCR signalling in cells.

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