A Statistical Journey through the Topological Determinants of the β2 Adrenergic Receptor Dynamics.

ABSTRACT: Activation of G-protein-coupled receptors (GPCRs) is mediated by molecular switches throughout the transmembrane region of the receptor. In this work, we continued along the path of a previous computational study wherein energy transport in the β2 Adrenergic Receptor (β2-AR) was examined and allosteric switches were identified in the molecular structure through the reorganization of energy transport networks during activation. In this work, we further investigated the allosteric properties of β2-AR, using Protein Contact Networks (PCNs). In this paper, we report an extensive statistical analysis of the topological and structural properties of β2-AR along its molecular dynamics trajectory to identify the activation pattern of this molecular system. The results show a distinct character to t

SUBMITTER: Di Paola L 

PROVIDER: S-EPMC9318934 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature