This page contains 3D structural models (Version 2, built on March 2014) of all 1,062 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 significant templates are identified, full-length models will be constructed by the I-TASSER based fragment assembly simulations, which are assisted by a GPCR and membrane specific force field and spatial restraints collected from mutagenesis experiments in GPCR-RD. If there is no significant template hit, an ab initio folding procedure is developed to assemble the seven transmembrane helix bundle from artificial helices, followed by the I-TASSER based refinment simulations. For multiple domain GPCRs, structural models are built by GPCR-I-TASSER for each domain separately which are then assembly 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 low resolution. Users are encouraged to check the attached residue-specific quality (RSQ) 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.
  • All experimentally solved GPCR structures can be found at GPCR-EXP Database.
Other GPCR-related resources
GPCR resources from other laboratories


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[ 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 ]

Structure Models of GPCRs in Human Genome
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HG ID UniProt ID Entry Name C-score Estimated
TM-score
Estimated
RMSD
Top 10 Templates
HG0660 Q9P1P5 TAAR2_HUMAN -0.56 0.64 ± 0.13 7.8 ± 4.4 3sn6R2,2rh1_A,4iaqA1,2ycwa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,2rh1A1
HG0661 O95838 GLP2R_HUMAN -2.47 0.43 ± 0.14 9.99 ± 4 4l6rA,4k5y_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0662 Q9H2C7 Q9H2C7_HUMAN 0.52 0.78 ± 0.09 5 ± 3.2 3pblA1,2rh1_A,3emlA1,2ydoa,3emlA1,1gzmA,2rh1_A,4gpoa,3emlA1,3emlA1
HG0663 Q8NG99 OR7G2_HUMAN -0.03 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0664 Q86YG9 Q86YG9_HUMAN -1.57 0.52 ± 0.15 9.99 ± 4.6 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA2,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA2
HG0665 P41587 VIPR2_HUMAN -0.35 0.67 ± 0.13 7.8 ± 4.4 4l6rA,4k5y_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0666 Q9NYW0 T2R10_HUMAN -0.06 0.71 ± 0.12 6.4 ± 3.9 4mbsA1,2rh1_A,4djhA1,2z73a,3rzeA1,1gzmA,3uon_A,2ks9a,3vw7A,4djhA1
HG0667 P0C626 OR5G3_HUMAN -0.36 0.67 ± 0.13 7.1 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0668 Q96RD0 OR8B2_HUMAN -0.32 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0669 O60883 ETBR2_HUMAN -1.33 0.55 ± 0.15 9.99 ± 4.6 2ks9A,4ea3B,4grv_A,4ldea,2ks9A,4ea3B,2ks9a,4ea3B,2ks9A,4ea3B
HG0670 P35367 HRH1_HUMAN -0.45 0.66 ± 0.13 8.3 ± 4.5 3rzeA,3rzeA,3rzeA,3rzea,3rzeA,3rzeA,3rzea,3rze_A,3rzeA,3rzeA
HG0671 Q8NHC5 O14AG_HUMAN 0.36 0.76 ± 0.1 5.5 ± 3.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0672 Q8NFJ6 PKR2_HUMAN -0.08 0.7 ± 0.12 6.9 ± 4.1 2ks9A,3vw7_A,2ks9A,2ks9a,2ks9A,2ks9A,4grv_A,2ks9a,2ks9A,2ks9A
HG0673 P37288 V1AR_HUMAN -0.34 0.67 ± 0.13 7.7 ± 4.3 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,2ks9A,2rh1_A,2ks9a,2ks9A,2ks9A
HG0674 Q8IYL9 PSYR_HUMAN 0.41 0.77 ± 0.1 5.6 ± 3.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0675 Q6IFG1 O52E8_HUMAN -0.38 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,3vw7_A,4gpoa,3emlA1,3emlA1
HG0676 Q8NH86 Q8NH86_HUMAN 0.24 0.74 ± 0.11 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0677 Q9UN27 Q9UN27_HUMAN -0.36 0.67 ± 0.13 7.2 ± 4.2 4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA,4mbsA
HG0678 Q8NH00 OR2T4_HUMAN -1.61 0.52 ± 0.15 9.99 ± 4.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0679 A0AUJ7 A0AUJ7_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0680 P25929 NPY1R_HUMAN 0.66 0.8 ± 0.09 5.3 ± 3.4 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,3odu_A,2ks9a,2ks9A,2ks9A
HG0681 Q8NGI9 OR5A2_HUMAN -0.19 0.69 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0682 Q6LAJ3 Q6LAJ3_HUMAN -2.19 0.46 ± 0.15 9.99 ± 4.4 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0683 A4D2G5 A4D2G5_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0684 Q8NGS2 OR1J2_HUMAN 0.07 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0685 Q6IFG6 Q6IFG6_HUMAN -0.46 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0686 Q8NGX9 OR6P1_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0687 P0C617 O5AL1_HUMAN -0.55 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,4grv_A,3emlA1,1l9ha,3emlA1,1gzmA,4grv_A,2ydoa,3emlA1,3emlA1
HG0688 Q8NGL4 OR5DD_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0689 A4D2G3 O2A25_HUMAN 0.08 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0690 Q96R45 OR2A7_HUMAN -0.02 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1


Reference:
    J Zhang, J Yang, R Jang, Y Zhang. Hybrid structure modeling of G protein-coupled receptors in the human genome. submitted (2015).
 


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