This page contains 3D structural models (Version 3, built on Aug 2014) of 1,026 putative G protein-coupled receptors (GPCRs) in the human genome generated by the GPCR-I-TASSER pipeline. The most recent (Version 4, built on June 2018) is now available as part of the GPCR-EXP database.

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 close homolgous templates are identified, full-length models will be constructed by the I-TASSER based fragment assembly simulations, assisted by a GPCR and membrane specific force field and spatial restraints collected from mutagenesis experiments in GPCR-RD. In case that homologous templates are not available, an ab initio folding procedure is used to assemble the 7-TM-helix bundle from scratch, followed by the GPCR-I-TASSER fragment reassembly simulations. For multiple domain GPCRs, structural models are built by GPCR-I-TASSER for each domain separately which are then reassembly by the I-TASSER approach. All the models are finally subjected to FG-MD for fragment-guided molecular dynamic simulation refinements.

Note:

• For each entry, the GPCR-HGmod data include top-five full-length models, LOMETS template and alignments, secondary structure prediction, solvent accessibility prediction, and residue-specific error and B-factor predictions.
• The GPCR-I-TASSER models have generally higher resolution in the transmembrane regions; users should bear cautions on using the loop and tail regions of the models which have usually a relatively lower resolution. Users are encouraged to check the attached residue-specific quality (ResQ) prediction to assess the local structure errors.
• All the models were constructed from the GPCR sequence alone. An attachment of addition ligand molecules may change the conformation of the structures.
• Experimentally solved GPCR structures can be found at GPCR-EXP Database.

• GPCR-I-TASSER: On-line server for GPCR structure prediction
• GPCR-RD: GPCR 3D restraint database
• GPCR-EXP: collection of experimentally solved GPCRs
• GLASS: GPCR-ligand association database

• GPCRDB: information system for GPCRss
• TinyGPAP mutant database
• GPCR-OKB: oligomerization knowledge base
• GPCR natural variants database
• GLIDA: GPCR-ligand database
• IUPHAR GPCR database
• gpDB: G proteins and their interactions with GPCRs
• SEVENS: GPCR genes database
• GDD: GPCR decoy database
• Summary of activation changes in GPCR TMs