About GPCR-I-TASSER server
GPCR-I-TASSER is a hybrid method designed for 3D structure prediction of
G protein-coupled receptors. As shown in Figure 1, the GPCR-I-TASSER pipeline
consits of three steps: (1) generation of the transmembrane helix framework; (2)
I-TASSER based fragment structure reassembly simulations; (3) model selection
and fragment-guided atomic structure refinement.
In the first step, LOMETS is exploited to thread the sequence to the PDB library
for template and super secondary structure identification. If close homologous
templates are not available, an ab initio folding program is used to
assembly artificial helices into a 7-TM-helix bundle from scratch. The ab initio
bundle, the LOMETS alignments and the sparse restraints collected from mutagensis
data in GPCR-RD will be used as input of the next step of structure assembly
simulations (see Figure 1 below).
The GPCR-I-TASSER has been applied to modell all the GPCR sequences in the human
genome, with the updated structure models deposited in
Figure 1. GPCR-I-TASSER protocol for GPCR 3D structure prediction.
- Jian Zhang, Jianyi Yang, Richard Jang and Yang Zhang.
GPCR-I-TASSER: A hybrid approach to G protein-coupled receptor
structure modeling and case study on human genome