Analysis of key residues in A2A adenosine receptor metamorphosis based on the anisotropic network model
A2A adenosine receptor(A2AAR),an important member of class A G-protein-coupled receptors,plays a critical role in transmembrane signaling mediated by endogenous agonist adenosine and is involved in many important signal-regulatory processes.Using the anisotropic network model,we analyzed the mean-square fluctuations of residues in the inactive,intermediate,and active states of A2AAR in both fast and slow-motion modes,and found the key residues that contribute to the structural stability and function of A2AAR during its conformational changes.By examining the correlation and interaction of inter-residue pair motions,we investigated the correlation between the secondary structures and the important residues to maintain the structural stability in the A2AAR allosteric process.The findings of this study provide theoretical guidance for the study of related diseases and drug development.
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