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
HG0090 Q9NYW2 TA2R8_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4mbsA1,3odu_A,4djhA1,3vg9a,3rzeA1,2z73A,3rze_A,2ks9a,2ks9A,4djhA1
HG0091 P49685 GPR15_HUMAN 0.19 0.74 ± 0.11 6.2 ± 3.8 4mbsA1,4grv_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4grv_A,4mbsa,4mbsA,4mbsA1
HG0092 Q8NGX8 OR6Y1_HUMAN -0.23 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0093 Q4VBL8 Q4VBL8_HUMAN -0.25 0.68 ± 0.12 7.4 ± 4.2 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,2ks9_A,2ks9a,2ks9A,2ks9A
HG0094 Q8NGZ0 O2AJ1_HUMAN 0.17 0.74 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0095 Q8NGS3 OR1J1_HUMAN -0.12 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0096 P32239 GASR_HUMAN -1.28 0.56 ± 0.15 9.99 ± 4.6 4ib4A,3odu_A,2ks9A,3zpqa,2rh1A1,3uonA1,2rh1_A,3zpqa,2ks9A,2ks9A
HG0097 Q8NGH3 OR2D3_HUMAN -0.63 0.63 ± 0.13 7.8 ± 4.4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0098 P41145 OPRK_HUMAN -2.13 0.46 ± 0.15 9.99 ± 4.5 4djha,4djhA,4djhA,4djhA1,4djhA1,4djhA1,4djha,4djhA,4djhA1,4djhA
HG0099 Q502V9 Q502V9_HUMAN 0.01 0.71 ± 0.11 6.7 ± 4 4mbsA1,2rh1_A,4ea3B,4ea3a,4mbsA1,4djhA1,3vw7_A,2ks9a,4ea3B,4ea3B2
HG0100 Q86YF2 Q86YF2_HUMAN 0.02 0.72 ± 0.11 6.7 ± 4 4mbsA1,4dkl_A,2ks9A,2ks9a,4mbsA1,4ea3B2,2rh1_A,4ea3a,4ea3B,2ks9A
HG0101 P47900 P2RY1_HUMAN -1.13 0.57 ± 0.14 9.2 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0102 Q6UXT6 Q6UXT6_HUMAN 0.29 0.75 ± 0.1 5.6 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0103 Q8NGR6 OR1B1_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0104 Q8NGD3 OR4K5_HUMAN -0.23 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0105 Q15612 OR1Q1_HUMAN 0.02 0.72 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0106 P20309 ACM3_HUMAN -2.92 0.38 ± 0.13 9.99 ± 3.5 4daja,4daja,3uonA,3uon_A,3uonA,3uonA,3uonA,3uonA,3uona,3uonA
HG0107 Q15620 OR8B8_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0108 Q8TDT2 GP152_HUMAN -2.7 0.4 ± 0.14 9.99 ± 3.9 4mbsA1,3vw7A,2z73_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,2z73_A,4mbsa,4mbsA1
HG0109 P21730 C5AR1_HUMAN -1.36 0.55 ± 0.15 9.6 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0110 P35348 ADA1A_HUMAN -2.82 0.39 ± 0.13 9.99 ± 3.8 4ib4A,3uon_A,3sn6R2,3zpqa,4ib4A,4iaqA,2rh1_A,3zpqa,2rh1A,4iaqA1
HG0111 P47872 SCTR_HUMAN -0.4 0.66 ± 0.13 7.9 ± 4.4 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0112 Q8NGQ1 OR9G4_HUMAN -0.54 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0113 Q8NGY4 Q8NGY4_HUMAN -0.14 0.69 ± 0.12 6.6 ± 4 4iaqA1,3vw7_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0114 Q8NG77 O2T12_HUMAN 0.17 0.74 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0115 Q9H2C6 Q9H2C6_HUMAN 0.45 0.77 ± 0.1 5.2 ± 3.3 3pblA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0116 Q6UR97 Q6UR97_HUMAN -0.27 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3odu_A,3emlA1,2ydoa,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,3emlA1
HG0117 Q502V0 Q502V0_HUMAN -0.13 0.7 ± 0.12 6.7 ± 4 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0118 P48039 MTR1A_HUMAN 1.41 0.91 ± 0.06 3.6 ± 2.5 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,3rzeA1,2rh1_A,2ks9a,2ks9A,2ks9A
HG0119 Q147X8 Q147X8_HUMAN -0.41 0.66 ± 0.13 7.9 ± 4.4 2ks9A,2z73_A,2ks9A,2ks9a,1l9ha,3pblA1,4grv_A,2ks9a,2ks9A,2ks9A
HG0120 B3SXS7 B3SXS7_HUMAN 0.95 0.84 ± 0.08 4.7 ± 3.1 4k5yA2,4l6rA,4k5y_A,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4l6rA


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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