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
HG0570 Q6UR98 Q6UR98_HUMAN -0.03 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3odu_A,3emlA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,3emlA1
HG0571 P51686 CCR9_HUMAN -1.21 0.56 ± 0.15 9.4 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0572 P43088 PF2R_HUMAN 0.24 0.75 ± 0.11 6.1 ± 3.7 2z73A,3uon_A,2ks9A,2ziya,1l9ha,1gzmA,4grv_A,1l9ha,2ziyA,2ks9A
HG0573 Q96RD2 O52B2_HUMAN -0.39 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0574 Q7Z5H4 VN1R5_HUMAN -1.83 0.49 ± 0.15 9.99 ± 4.6 2z73A,3vw7_A,4grvA1,2z73a,1xm9A,4grvA1,2rh1_A,1l9ha,2ks9A,4djhA1
HG0575 Q9UKP6 UR2R_HUMAN -0.17 0.69 ± 0.12 7.1 ± 4.2 4mbsA1,3odu_A,2ks9A,2ks9a,4mbsA1,4djhA1,3odu_A,2ks9a,4ea3B,2ks9A
HG0576 Q9H255 O51E2_HUMAN -0.13 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0577 Q9Y2T6 GPR55_HUMAN 0.83 0.83 ± 0.08 4.6 ± 3 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0578 Q4VBL9 Q4VBL9_HUMAN -2.02 0.47 ± 0.15 9.99 ± 4.4 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,2ks9_A,2ks9a,2ks9A,2ks9A
HG0579 Q8NFJ5 RAI3_HUMAN -3.48 0.33 ± 0.11 9.99 ± 3.5 3pblA1,4l6r_A,3wb8A,4l6r_A,4l6rA2,4iaqA1,2z73_A,4j5mA,2z73_A,4l6rA
HG0580 P32238 CCKAR_HUMAN -0.34 0.67 ± 0.13 7.7 ± 4.3 4ib4A,3odu_A,2ks9A,2ycwa,4ib4A,3sn6R2,2rh1_A,2ks9a,2ks9A,2ks9A
HG0581 P30989 NTR1_HUMAN -2.06 0.47 ± 0.15 9.99 ± 4.5 4grv_A,4grv_A,4grvA,4grvA,4grvA,4grvA1,4grvA,4grvA,4grvA1,4grvA1
HG0582 Q9GZN0 GPR88_HUMAN -0.7 0.62 ± 0.14 8.3 ± 4.5 4iaqA,2rh1_A,4iaqA1,3zpqa,4ib4A,4iaqA1,2rh1_A,3zpqa,3sn6R,4iaqA1
HG0583 Q96RA2 OR7D2_HUMAN -0.14 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0584 Q6IEV0 Q6IEV0_HUMAN -0.09 0.7 ± 0.12 6.4 ± 3.9 3pblA1,3uon_A,3emlA1,3emla,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0585 Q8TDU5 VNRL4_HUMAN -0.22 0.68 ± 0.12 5.9 ± 3.7 4mbsA,3odu_A,4grvA1,1l9ha,1pw4A2,2z73A,2rh1_A,1l9ha,4grvA,4grvA1
HG0586 P25116 PAR1_HUMAN -2.51 0.42 ± 0.14 9.99 ± 4.2 3vw7_A,3vw7_A,3vw7A,3vw7A,3vw7A,3vw7A,3vw7A,3vw7A1,3vw7a,3vw7A1
HG0587 Q8NH59 O51Q1_HUMAN -0.06 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0588 Q8NGU0 Q8NGU0_HUMAN 0.72 0.81 ± 0.09 4.5 ± 3 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,3eml_A,2ydoa,3emlA1,3emlA1
HG0589 Q8NGG1 OR8J2_HUMAN -0.14 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0590 Q6IFI9 Q6IFI9_HUMAN -0.38 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0591 P41597 CCR2_HUMAN -0.82 0.61 ± 0.14 8.5 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0592 Q15619 OR1C1_HUMAN -0.29 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0593 Q8NGY6 OR6N2_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0594 Q99500 S1PR3_HUMAN -0.2 0.69 ± 0.12 7.1 ± 4.2 3sn6R2,3v2y_A,2ks9A,2ks9a,2rh1A1,3v2wA1,3v2y_A,3zpqa,3emlA,2ks9A
HG0595 A8I0M1 A8I0M1_HUMAN -0.21 0.69 ± 0.12 6.8 ± 4 4iaqA1,3odu_A,3emlA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3emlA1
HG0596 Q9NYW5 TA2R4_HUMAN 0.16 0.73 ± 0.11 5.9 ± 3.7 4djhA1,3rze_A,4djhA1,3vg9a,4jkvA2,1gzmA,3vw7_A,2ks9a,3vw7A,4djhA1
HG0597 B3SXS8 B3SXS8_HUMAN 0.89 0.83 ± 0.08 4.8 ± 3.1 4k5yA2,4l6rA,4k5y_A,4l6ra,4l6rA,4l6ra,4k5yA2,4l6rA,4k5y_A,4l6rA
HG0598 O76100 OR7AA_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0599 Q8NH55 O52E5_HUMAN 0.01 0.72 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0600 Q8NH03 OR2T3_HUMAN -0.3 0.68 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_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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