Variable G protein determinants of GPCR coupling selectivity
نویسندگان
چکیده
منابع مشابه
Structural Aspects of GPCR-G Protein Coupling
G protein-coupled receptors (GPCRs) are membrane receptors; approximately 40% of drugs on the market target GPCRs. A precise understanding of the activation mechanism of GPCRs would facilitate the development of more effective and less toxic drugs. Heterotrimeric G proteins are important molecular switches in GPCR-mediated signal transduction. An agonist-activated receptor interacts with specif...
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We describe a novel method for predicting G-protein coupled receptor (GPCR) G-protein coupling selectivity using amino acid properties of specific residues in GPCR sequences. We have evaluated various amino acid properties obtained with experimental or theoretical studies. The GPCRs having reliable G-protein binding information were collected from Guide to Receptors and Channels (GRAC) and gpDB...
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Takatsugu Hirokawa Hidetoshi Mukai [email protected] [email protected] 1 Computational Biology Research Center, 2-43 Aomi, Koto-ku, Tokyo 135-0064, Japan . Information and Mathematical Science Laboratory, Inc, 2-43-1, Ikebukuro, Toshima-ku, Tokyo, 171-0014, Japan 3 Nara Institute of Science and Technology, 8916-5 Takayama-cho, Ikoma-shi, Nara 630-0101, Japan . Mitsubishi Kagaku...
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Based on the recently described crystal structure of the β2 adrenergic receptor--Gs-protein complex, we report the first molecular-dynamics simulations of ternary GPCR complexes designed to identify the selectivity determinants for receptor-G-protein binding. Long-term molecular dynamics simulations of agonist-bound β2AR-Gαs and D2R-Gαi complexes embedded in a hydrated bilayer environment and c...
متن کاملPredicting GPCR-G-protein coupling using hidden Markov models
MOTIVATION Determining the coupling specificity of G-protein coupled receptors (GPCRs) is important for understanding the biology of this class of pharmacologically important proteins. Currently available in silico methods for predicting GPCR-G-protein coupling specificity have high error rate. METHOD We introduce a new approach for creating hidden Markov models (HMMs) based on a first guess ...
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ژورنال
عنوان ژورنال: Proceedings of the National Academy of Sciences
سال: 2019
ISSN: 0027-8424,1091-6490
DOI: 10.1073/pnas.1905993116