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This page contains 3D structural models (Version 3, built on August 2014) of 1,026 putative G protein-coupled receptors (GPCRs) in the human genome 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 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.
Other GPCR-related resources
GPCR resources from other laboratories



[ GPCR-HGmod Version 1: Human GPCR structure models generated in Jun 2013 ]
[ GPCR-HGmod Version 2: Human GPCR structure models generated in Mar 2014 ]
[ GPCR-HGmod Version 3: Human GPCR structure models generated in Aug 2014 ]

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Structure Models of GPCRs in the Human Genome
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HG ID UniProt ID Length C-score Estimated
TM-score
Estimated
RMSD
Top 5 models
HG0080 Q6IF42 318 -0.21 0.69 ± 0.12 6.80 ± 4.00
HG0081 Q8NGC9 324 -0.58 0.64 ± 0.13 7.60 ± 4.30
HG0082 Q8WZ84 308 -0.02 0.71 ± 0.12 6.30 ± 3.80
HG0083 Q8NH02 315 -0.32 0.67 ± 0.13 7.00 ± 4.10
HG0084 O60412 319 0.01 0.72 ± 0.11 6.30 ± 3.80
HG0085 Q9NYW2 309 -0.06 0.71 ± 0.12 6.40 ± 3.90
HG0086 P49685 360 -0.66 0.63 ± 0.14 8.00 ± 4.40
HG0087 Q8NGX8 325 -0.39 0.66 ± 0.13 7.20 ± 4.20
HG0088 Q4VBL8 406 -1.40 0.54 ± 0.15 9.99 ± 4.60
HG0089 Q8NGZ0 328 -0.15 0.69 ± 0.12 6.70 ± 4.00
HG0090 Q8NGS3 322 0.10 0.73 ± 0.11 6.10 ± 3.80


References:

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