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
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
HG0781 P59540 T2R46_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4djhA1,4mbs_A,4djhA1,2z73a,3a6pA1,1gzmA,3eml_A,2ks9a,2ks9A,4djhA1
HG0782 Q8NHA2 Q8NHA2_HUMAN -0.28 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0783 P0C629 O10J4_HUMAN -0.27 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0784 B2RNC7 B2RNC7_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 3pblA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0785 Q495I5 Q495I5_HUMAN 0.15 0.73 ± 0.11 5.9 ± 3.7 4djhA1,4mbs_A,4djhA1,3vg9a,3rzeA1,1gzmA,3odu_A,2ks9a,3vw7A,4djhA1
HG0786 P46092 CCR10_HUMAN -1.57 0.52 ± 0.15 9.99 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0787 Q8NGF3 O51D1_HUMAN -0.66 0.63 ± 0.14 7.8 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0788 Q8NH92 OR1S1_HUMAN -0.68 0.63 ± 0.14 7.9 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0789 Q8NGF9 OR4X2_HUMAN 0 0.71 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0790 P30968 GNRHR_HUMAN 0.25 0.75 ± 0.11 5.8 ± 3.6 4grvA1,4mbs_A,2ks9A1,2ks9a,2ks9A1,2ks9A1,2rh1_A,4ea3a,2ks9A,2ks9A1
HG0791 Q9UBY5 LPAR3_HUMAN 0.58 0.79 ± 0.09 5.3 ± 3.4 3sn6R2,4mbs_A,2ks9A,3vg9a,2rh1A1,3pblA1,3v2y_A,3zpqa,3emlA,2ks9A
HG0792 Q8NGH9 O52E4_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0793 P30518 V2R_HUMAN 0.66 0.8 ± 0.09 5.2 ± 3.4 2ks9A,4mbs_A,2ks9A,2ks9a,1l9ha,3sn6R2,2rh1_A,2ks9a,2ks9A,2ks9A
HG0794 Q8NGZ2 O14K1_HUMAN 0.33 0.76 ± 0.1 5.6 ± 3.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0795 Q9H1Y3 OPN3_HUMAN -0.36 0.67 ± 0.13 7.6 ± 4.3 2z73A,4mbs_A,2ks9A,2z73a,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2ks9A
HG0796 O00270 GPR31_HUMAN 0.22 0.74 ± 0.11 5.8 ± 3.7 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0797 Q1JUL9 Q1JUL9_HUMAN -0.49 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,4mbs_A,4iaqA1,3vg9a,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,4iaqA1
HG0798 Q9GZK7 O11A1_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0799 Q6IF82 O4A47_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 3pblA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0800 P41968 MC3R_HUMAN -1.13 0.57 ± 0.14 9.1 ± 4.6 4iaqA1,4mbs_A,3emlA1,2ydoa,4iaqA1,4iaqA1,2rh1_A,4ldea,3sn6R,3emlA1
HG0801 B9EIN2 B9EIN2_HUMAN -0.22 0.68 ± 0.12 6.8 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0802 Q6FHU6 Q6FHU6_HUMAN -1.23 0.56 ± 0.15 9.5 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0803 Q8NH05 OR4Q3_HUMAN -0.22 0.69 ± 0.12 6.8 ± 4 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0804 P25024 CXCR1_HUMAN 0.37 0.76 ± 0.1 5.7 ± 3.6 2lnl_A,2lnlA,2lnlA,2lnlA,2lnlA,2lnlA,2lnlA,2lnlA,2lnl_A,2lnlA
HG0805 B9EIN7 B9EIN7_HUMAN -0.19 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3sn6R2,2rh1_A,4gpoa,3emlA1,3emlA1
HG0806 Q8NGH6 O52L2_HUMAN -0.85 0.61 ± 0.14 8.2 ± 4.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0807 Q502V5 Q502V5_HUMAN -0.06 0.71 ± 0.12 6.3 ± 3.9 4mbsA1,4mbs_A,4djhA1,2ks9a,3rzeA1,2z73A,3odu_A,2ks9a,3vw7A,3pblA1
HG0808 P47888 OR3A3_HUMAN -0.29 0.68 ± 0.12 7 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0809 P32246 CCR1_HUMAN -1.2 0.57 ± 0.15 9.3 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4mbs_A,4mbsa,4mbsA,4mbsA1
HG0810 O95918 OR2H2_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_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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