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
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
HG0691 P49019 HCAR3_HUMAN -0.42 0.66 ± 0.13 7.7 ± 4.3 4mbsA1,3vw7A,3odu_A,2ks9A,4mbsA1,2ks9A,4ea3a,2ks9a,4mbsA1,2ks9a
HG0692 Q969N4 TAAR8_HUMAN 0.3 0.75 ± 0.1 5.8 ± 3.6 3sn6R2,2rh1_A,3sn6R2,4ldea,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,2rh1A1
HG0693 Q8NGF0 O52B6_HUMAN -1 0.59 ± 0.14 8.7 ± 4.5 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0694 B9EH08 B9EH08_HUMAN -0.27 0.68 ± 0.12 6.8 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0695 Q15391 P2Y14_HUMAN -0.29 0.68 ± 0.12 7.1 ± 4.1 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0696 Q8NGS4 O13F1_HUMAN -0.12 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0697 Q8NGD0 OR4M1_HUMAN -0.31 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0698 Q8NGQ6 OR9I1_HUMAN -0.08 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0699 Q8NGJ9 O51T1_HUMAN -0.41 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0700 P21731 TA2R_HUMAN 0.37 0.76 ± 0.1 5.7 ± 3.6 4mbsA1,4grv_A,2ks9A,2ks9a,1l9ha,3sn6R2,4grv_A,4ea3a,2ks9A,4mbsA1
HG0701 Q8NGJ2 O52H1_HUMAN -0.67 0.63 ± 0.14 7.8 ± 4.4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0702 Q63ZY2 Q63ZY2_HUMAN -1.96 0.48 ± 0.15 9.99 ± 4.5 4mbsA1,2ks9A,3odu_A,2ks9A,4mbsA1,2ks9A,4ea3a,2ks9A,4mbsA1,2ks9a
HG0703 B9EIL8 B9EIL8_HUMAN -0.24 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0704 Q1JUM0 Q1JUM0_HUMAN -1.39 0.54 ± 0.15 9.5 ± 4.6 4iaqA1,3odu_A,3emlA1,2ydoa,2rh1A1,3sn6R2,2rh1_A,4eiya,3sn6R,3emlA1
HG0705 Q8NGR1 O13A1_HUMAN -0.99 0.59 ± 0.14 8.6 ± 4.5 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0706 Q8NH83 OR4A5_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0707 P41146 OPRX_HUMAN -0.58 0.64 ± 0.13 7.9 ± 4.4 4ea3_A,4ea3_A,4ea3a,4ea3a,4ea3B,4ea3B,4ea3B2,4ea3B2,4ea3B2,4ea3B
HG0708 A6NH00 OR2T8_HUMAN 0.03 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0709 P49683 PRLHR_HUMAN -0.35 0.67 ± 0.13 7.4 ± 4.3 2ks9A,3odu_A,2ks9A,2ks9a,2ks9A,2ks9A,3vw7_A,2ks9a,2ks9A,2ks9A
HG0710 Q6ZMH0 Q6ZMH0_HUMAN -0.99 0.59 ± 0.14 9.3 ± 4.6 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA2
HG0711 Q6IFK7 Q6IFK7_HUMAN -1.97 0.48 ± 0.15 9.99 ± 4.6 4ldea,4iaqA1,3sn6r,3uon_A,4ea3B,3emlA1,3emlA1,3uonA1,4grv_A,4gpoa
HG0712 P35408 PE2R4_HUMAN -2.62 0.41 ± 0.14 9.99 ± 4 2z73A,4grv_A,2ks9A,2ycya,4ib4A,2z73A,2rh1_A,3zpqa,2ks9A,2ks9A
HG0713 Q8NH53 O52N1_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0714 Q16602 CALRL_HUMAN -2.19 0.46 ± 0.15 9.99 ± 4.3 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0715 Q969F8 KISSR_HUMAN -0.08 0.7 ± 0.12 7 ± 4.1 2ks9A,4dkl_A,2ks9A,2ks9a,2ks9A,4ea3B2,3odu_A,2ks9a,2ks9A,2ks9A
HG0716 O00155 GPR25_HUMAN -0.87 0.6 ± 0.14 8.5 ± 4.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0717 Q8NGD2 OR4K2_HUMAN -0.19 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0718 Q8NGN2 O10S1_HUMAN -0.75 0.62 ± 0.14 8.1 ± 4.4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0719 Q8NH60 O52J3_HUMAN -0.22 0.68 ± 0.12 6.7 ± 4 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0720 P51681 CCR5_HUMAN -1.36 0.55 ± 0.15 9.6 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1


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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