Bihelix: Towards de novo structure prediction of an ensemble of G-protein coupled receptor conformations.

ABSTRACT: G-Protein Coupled Receptors (GPCRs) play a critical role in cellular signal transduction pathways and are prominent therapeutic targets. Recently there has been major progress in obtaining experimental structures for a few GPCRs. Each GPCR, however, exhibits multiple conformations that play a role in their function and we have been developing methods aimed at predicting structures for all these conformations. Analysis of available structures shows that these conformations differ in relative helix tilts and rotations. The essential issue is, determining how to orient each of the seven helices about its axis since this determines how it interacts with the other six helices. Considering all possible helix rotations to ensure that no important packings are overlooked, and using rotation angle

SUBMITTER: Abrol R 

PROVIDER: S-EPMC3310341 | biostudies-literature | 2012 Feb

REPOSITORIES: biostudies-literature