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
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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
HG0630 P59542 T2R19_HUMAN 0.2 0.74 ± 0.11 5.8 ± 3.6 4djhA1,3odu_A,4djhA1,2z73a,3rzeA1,1gzmA,3odu_A,2ks9a,3vw7A,4djhA1
HG0631 Q3SAH2 Q3SAH2_HUMAN -0.81 0.61 ± 0.14 8.3 ± 4.5 4mbsA1,3odu_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0632 Q8NH99 Q8NH99_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 3uonA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0633 P25105 PTAFR_HUMAN -0.23 0.68 ± 0.12 7 ± 4.1 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4grv_A,4mbsa,3vw7A,4mbsA1
HG0634 Q8NH37 OR4C3_HUMAN 0.06 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,2z73A,3uon_A,2ydoa,3emlA1,3emlA1
HG0635 Q8NGP8 OR5M1_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0636 Q8NGE9 OR9Q2_HUMAN 0.01 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0637 Q8NGN5 O10G8_HUMAN -0.05 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0638 B2R8C0 B2R8C0_HUMAN -0.46 0.65 ± 0.13 7.5 ± 4.3 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0639 P43115 PE2R3_HUMAN 0.39 0.77 ± 0.1 5.9 ± 3.7 2ks9A,2rh1_A,2ks9A,2ks9a,1l9ha,1gzmA,2rh1_A,2ks9a,2ks9A,2ks9A
HG0640 Q8NG95 OR7G3_HUMAN 0.01 0.71 ± 0.11 6.3 ± 3.8 3uonA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0641 Q9NYV9 T2R13_HUMAN 0.2 0.74 ± 0.11 5.8 ± 3.6 4djhA1,3rze_A,4djhA1,2z73a,3rzeA1,2z73A,3rze_A,2ks9a,3vw7A,4djhA1
HG0642 Q6NWR8 Q6NWR8_HUMAN -1.51 0.53 ± 0.15 9.99 ± 4.6 2ks9A,2rh1_A,2ks9A,2ks9a,2rh1A1,3uonA1,2rh1_A,3zpqa,2ks9A,2ks9A
HG0643 Q9UJ42 GP160_HUMAN -1.07 0.58 ± 0.14 8.9 ± 4.6 3uonA1,2rh1_A,4iaqA1,2ks9a,1uuqA,3sn6R2,2rh1_A,3zpqa,3rzeA1,4grvA1
HG0644 P59538 T2R31_HUMAN 0.15 0.73 ± 0.11 5.9 ± 3.7 4djhA1,3vw7_A,4djhA1,1l9ha,3a6pA1,2z73A,3vw7_A,2ks9a,2ks9A,4djhA1
HG0645 Q1JUL4 Q1JUL4_HUMAN 0.09 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,3odu_A,4iaqA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3emlA1
HG0646 O76001 OR2J3_HUMAN -0.35 0.67 ± 0.13 7 ± 4.1 3uonA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0647 Q8NGX2 O2T35_HUMAN -0.29 0.68 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0648 Q01726 MSHR_HUMAN 0.09 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,3odu_A,4iaqA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3emlA1
HG0649 Q9NZP2 OR6C2_HUMAN 0.24 0.75 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0650 Q9H210 OR2D2_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0651 B2R7P1 B2R7P1_HUMAN -2.23 0.45 ± 0.15 9.99 ± 4.4 4djha,4djhA,4djhA,4djhA1,4djhA1,4djhA1,4djha,4djhA,4djhA1,4djhA
HG0652 Q96P67 GPR82_HUMAN 0.33 0.76 ± 0.1 5.7 ± 3.6 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,3vw7A1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0653 B2KIU0 B2KIU0_HUMAN -1.05 0.58 ± 0.14 8.9 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1
HG0654 A6NDL8 O6C68_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0655 Q9NQ84 GPC5C_HUMAN -4.41 0.25 ± 0.07 9.99 ± 2.3 4l6r_A,3cghA,4l6r_A,3v2y_A,4l6rA,2vn4A,4iaqA1,3ehmA,2z73_A,4b2nA
HG0656 B5B0C1 B5B0C1_HUMAN 0.89 0.83 ± 0.08 4.8 ± 3.1 2ks9A,2rh1_A,2ks9A,2ks9a,2rh1A1,3sn6R2,2rh1_A,3zpqa,2ks9A,2ks9A
HG0657 Q5IFI4 Q5IFI4_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4mbsA1,2rh1_A,4mbsA1,4ea3a,4mbsA1,4djhA1,2rh1_A,4ea3a,4djhA,4mbsA1
HG0658 Q8NGL6 O4A15_HUMAN -0.83 0.61 ± 0.14 8.3 ± 4.5 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0659 Q8NH77 Q8NH77_HUMAN 0.05 0.72 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3sn6R2,4grv_A,4gpoa,3emlA1,3emlA1
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
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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