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Article

Probing Allosteric Regulation Mechanism of W7.35 on Agonist-Induced Activity for μOR by Mutation Simulation.

Journal of chemical information and modeling - 14 Nov 2022

Zhang Fuhui, Chen Xin, Chen Jianfang, Xu Yanjiani, Li Shiqi, Guo Yanzhi, Pu Xuemei

Abstract excerpt

The residue located at 15 positions before the most conserved residue in TM7 (7.35 of Ballesteros-Weinstein number) plays important roles in ligand binding and the receptor activity for class A GPCRs. Nevertheless, its regulation mechanism has not been clearly clarified in experiments, and some controversies also exist for its impact on μ-opioid receptors (μOR) bound by agonists. Thus, we chose the μ-opioid...

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PMID: 34779608
DOI: 10.1021/acs.jcim.1c00650

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