pKa Calculations of GPCRs: Understanding Protonation States in Receptor Activation
Carlos A. V. Barreto,
João N. M. Vitorino,
Pedro B.P.S. Reis
et al.
Abstract:The increase in the available G protein-coupled receptor (GPCR) structures has been pivotal in helping to understand their activation process. However, the role of protonation−conformation coupling in GPCR activation still needs to be clarified. We studied the protonation behavior of the highly conserved Asp 2.50 residue in five different class A GPCRs (active and inactive conformations) using a linear response approximation (LRA) pK a calculation protocol. We observed consistent differences (1.3 pK units) for… Show more
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