Improving homology modeling of G-protein coupled receptors through multiple-template derived conserved inter-residue interactions.

ABSTRACT: Evidenced by the three-rounds of G-protein coupled receptors (GPCR) Dock competitions, improving homology modeling methods of helical transmembrane proteins including the GPCRs, based on templates of low sequence identity, remains an eminent challenge. Current approaches addressing this challenge adopt the philosophy of "modeling first, refinement next". In the present work, we developed an alternative modeling approach through the novel application of available multiple templates. First, conserved inter-residue interactions are derived from each additional template through conservation analysis of each template-target pairwise alignment. Then, these interactions are converted into distance restraints and incorporated in the homology modeling process. This approach was applied to modeling

SUBMITTER: Chaudhari R 

PROVIDER: S-EPMC5571978 | biostudies-literature | 2015 May

REPOSITORIES: biostudies-literature