This page contains 3D structural models (Version 2, built on March 2014) of all 1,062 putative G protein-coupled receptors
(GPCRs) generated by the GPCR-I-TASSER
pipeline.
In GPCR-I-TASSER, the GPCR sequences are first threaded through the GPCR template library to
identify muliple structure templates by the LOMETS
programs.
When significant templates are identified, full-length models will be constructed by the
I-TASSER based structure assembly simulations,
which are guided by the GPCR and membrane specific force fields and spatial restraints collected from
mutagenesis experiments in GPCRRD.
If there is no significant template hit, an ab initio folding procedure is developed to assemble the
seven transmembrane helix bundle from artificial helices, followed by the I-TASSER based refinment
simulations.
For multiple domain GPCRs, structural models are built by GPCR-I-TASSER for each domain separately
which are then assembly by the I-TASSER approach.
All the models are finally subjected to FG-MD
for fragment-guided molecular dynamic
simulation refinements.
Reference:
Jian Zhang, Jianyi Yang, Richard Jang, and Yang Zhang,
Novel hybrid approach to G protein-coupled receptor structure modeling and case study on human genome, submitted, 2014.
yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue
Ann Arbor, MI 48109-2218
umich.edu | (734) 647-1549 | 100 Washtenaw Avenue
Ann Arbor, MI 48109-2218