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.
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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
HG0750 Q8NGC1 O11G2_HUMAN -1.72 0.51 ± 0.15 9.99 ± 4.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0751 Q8NH85 OR5R1_HUMAN -0.14 0.7 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0752 Q5VZX0 Q5VZX0_HUMAN -0.25 0.68 ± 0.12 7.2 ± 4.2 3sn6R2,3v2y_A,2ks9A,3vg9a,2rh1A1,3pblA1,3v2y_A,3zpqa,3emlA,2ks9A
HG0753 Q6IF63 O52W1_HUMAN -0.36 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0754 Q6NWR7 Q6NWR7_HUMAN -2.02 0.47 ± 0.15 9.99 ± 4.5 4iaqA1,4mbs_A,2ks9A,2ks9a,2rh1A1,3uonA1,3odu_A,3zpqa,2ks9A,2ks9A
HG0755 Q8NGP9 O5AR1_HUMAN -0.09 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0756 Q9Y5Y3 GPR45_HUMAN 0.8 0.82 ± 0.08 5 ± 3.2 2ks9A,4mbs_A,2ks9A,2ks9a,2rh1A1,3sn6R2,2rh1_A,3zpqa,2ks9A,2ks9A
HG0757 P0C7N5 OR8U9_HUMAN 0.03 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0758 P47871 GLR_HUMAN -1.76 0.5 ± 0.15 9.99 ± 4.5 4l6ra,4l6rA,4l6rA,4l6ra,4l6rA,4l6rA,4l6r_A,4l6r_A,4l6rA,4l6rA
HG0759 P0C604 OR4A8_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0760 Q15622 OR7A5_HUMAN -0.09 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0761 Q92633 LPAR1_HUMAN -0.28 0.68 ± 0.12 7.2 ± 4.2 3sn6R2,3v2y_A,2ks9A,3vg9a,2rh1A1,3pblA1,3v2y_A,3zpqa,3emlA,2ks9A
HG0762 B9EK41 B9EK41_HUMAN -1.04 0.58 ± 0.14 9.3 ± 4.6 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,3pblA1,2rh1_A,2ks9a,2ks9A,2ks9A
HG0763 Q8NGE7 OR9K2_HUMAN -0.98 0.59 ± 0.14 8.6 ± 4.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0764 A6NF89 OR6C6_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0765 Q3S2J4 Q3S2J4_HUMAN -0.4 0.66 ± 0.13 7.8 ± 4.4 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,2ks9A,2rh1_A,2ks9a,2ks9A,2ks9A
HG0766 Q9H346 O52D1_HUMAN -0.49 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0767 Q9BYY6 Q9BYY6_HUMAN -0.45 0.66 ± 0.13 7.4 ± 4.2 4iaqA1,4mbs_A,4iaqA1,4ldea,4iaqA1,4iaqA1,3odu_A,3zpqa,3sn6R,3sn6R2
HG0768 O95665 NTR2_HUMAN -0.12 0.7 ± 0.12 7.1 ± 4.2 4mbsA,4grv_A,2ks9A,2ycya,3rzeA1,3sn6R2,4grv_A,3zpqa,2ks9A,2ks9A
HG0769 B2RUT4 B2RUT4_HUMAN -0.27 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0770 Q8NGK2 O52B4_HUMAN -0.39 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0771 Q6UR92 Q6UR92_HUMAN -0.5 0.65 ± 0.13 7.4 ± 4.3 4iaqA1,4mbs_A,4iaqA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3emlA1
HG0772 Q8IWP3 Q8IWP3_HUMAN -1.78 0.5 ± 0.15 9.99 ± 4.6 4djhA,4djha,4djhA,4djhA1,4djhA1,4djhA1,4djha,4djhA,4djhA1,4djhA
HG0773 O43613 OX1R_HUMAN -0.3 0.67 ± 0.12 7.6 ± 4.3 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,3sn6R2,4mbs_A,2ks9a,2ks9A,2ks9A
HG0774 P35462 DRD3_HUMAN -0.58 0.64 ± 0.13 8.1 ± 4.4 3pblA,3pbla,3pblA,3pblA,3pblA,3pbla,3pblA,3pbl_A,3pbl_A,3pblA
HG0775 P35346 SSR5_HUMAN 0.24 0.75 ± 0.11 6.1 ± 3.8 4mbsA1,4mbs_A,4mbsA1,4ea3a,4mbsA1,4ea3B2,3odu_A,4ea3a,4ea3B,2ks9A
HG0776 P35410 MAS1L_HUMAN -0.44 0.66 ± 0.13 7.7 ± 4.3 4mbsA1,4mbs_A,4ea3B,4ea3a,4mbsA1,4djhA1,4mbs_A,2ks9a,4ea3B,2ks9A
HG0777 Q0PJU0 Q0PJU0_HUMAN 1.21 0.88 ± 0.07 4 ± 2.7 1u19A,4mbs_A,2ks9A,1l9ha,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2ks9A
HG0778 Q8NGB2 OR4C5_HUMAN -1.08 0.58 ± 0.14 8.8 ± 4.6 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0779 A6NL08 O6C75_HUMAN 0.26 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0780 Q8NGP2 OR8J1_HUMAN 0.07 0.72 ± 0.11 6.2 ± 3.8 3pblA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_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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