Optimizing GPCR Two-Dimensional Topology from Contact Map
Comparative folding G-protein coupled receptors are hampered by distant homology and limited experimental templates. In order to explore the possibility of ab initio modeling, we proposed an optimization method of GPCR two-dimensional topologies based on the contact map that does not apply to any homologous templates or fragments, using a cost-effective 2D helix topology phase. The approach was evaluated in 12 solved GPCRs, our method has seven advantages over SWISS-MODEL, and the overall RMSD was reduced by about 20%.
KeywordsGPCR topology Protein prediction Optimization
This paper is supported by the National Natural Science Foundation of China (61772357, 61502329, 61672371), Jiangsu 333 talent project and top six talent peak project (DZXX-010), Suzhou Foresight Research Project (SYG201704, SNG201610) and the Postgraduate Research & Practice Innovation Program of Jiangsu Province (SJCX17_0680).
- 1.Fillmore, D.: It’s a GPCR world. Mod. Drug Discov. 11, 24–28 (2004)Google Scholar