Summary of activation changes in GPCR TMs

Experimental information on GPCR activation was gathered from the literature and is summarized here. When possible, the experimental data was translated into distance constraints. Different subsets of such constraints were implemented in a simulated annealing protocol in charmm, to obtain active state conformations. The original paper, experiment description, our interpretation in terms of distance constraint and the models in which the constraint was used are listed in the tables below. The information can be viewed for individual TMs (transmembrane domains) or for all protein/retinal and protein/protein interactions that were used to derive the models.
Models using constraints


Masha Y. Niv, Lucy Skrabanek, Marta Filizola, Harel Weinstein, Modeling the activated form of GPCRs: The rhodopsin template
Journal of Computer-Aided Molecular Design, (GPCR issue), 2006 Jul-Aug;20(7-8):437-48.

For more information, please contact Masha Niv (niv at agri dot huji dot ac dot il).