GPCR-I-TASSER is a computational method designed for 3D structure
prediction of G protein-coupled receptors.
The target sequence is first threaded through the PDB libary
by
LOMETS
to search for putative templates.
If homologous templates are identified, a template-based fragment
assembly procedure is used to construct full-length models. This
procedure is extended from
I-TASSER
but with a GPCR-specific, knowledge-based force field to guide
the structure assembly simulations.
In case that no homologous templates are available, an
ab initio TM-helix folding procedure is used to
assembly the 7-TM-helix bundle from scratch, followed
by GPCR-I-TASSER structure reassembly simulation that is
assisted with the sparse mutagensis restraints from GPCR-RD.
The final structue models are refined at atomic-level by
the fragment-guided molecular dynamic
(
FG-MD)
simulations.
Please report problems and questions at
Service System Discussion Board and some members will study
and answer the questions.
(>>
More about the server ...).
Note: This server is only for modeling GPCRs. For non-GPCR
sequences, please submit the sequences to the
I-TASSER Server.
If your sequence is a human GPCR, you can quickly retreive the model
results from the
GPCR-HGmod database.
All experimentally solved GPCRs can be found in the
GPCR-EXP database.
[
Example]
[
GPCR-HGmod]
[
GPCR-EXP]
[
GPCR-RD]
[
Library]
[
Forum]
References:
-
J Zhang, J Yang, R Jang, Y Zhang.
GPCR-I-TASSER: A hybrid approach to G protein-coupled receptor
structure modeling and the application to the human genome, Structure, 23: 1538-1549, 2015
(Download PDF and
Support Information).
umich.edu
| (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218