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
HG0480 P24530 EDNRB_HUMAN -0.73 0.62 ± 0.14 8.7 ± 4.5 4ea3B,2ks9A,4ea3B,3odu_A,4ea3B,2ks9A,2ks9a,2ks9A,4ea3B2,2rh1_A
HG0481 P59543 T2R20_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4djhA1,3rze_A,4djhA1,2z73a,3a6pA1,1gzmA,3eml_A,2ks9a,3vw7A,4djhA1
HG0482 Q8NGB8 O4F15_HUMAN -0.11 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0483 Q52R92 Q52R92_HUMAN -0.5 0.65 ± 0.13 7 ± 4.1 4iaqA1,3odu_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0484 Q8NH80 O10D3_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0485 O43603 GALR2_HUMAN -0.2 0.69 ± 0.12 7.2 ± 4.2 2ks9A,2ks9A,2rh1_A,2ks9a,2ks9A,2ks9a,4ea3B2,2ks9A,2rh1_A,2ks9A
HG0486 Q6IFP3 Q6IFP3_HUMAN -0.12 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0487 P58180 OR4D2_HUMAN -0.12 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0488 B2KIU1 B2KIU1_HUMAN -1.01 0.59 ± 0.14 8.8 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0489 P29275 AA2BR_HUMAN 0.24 0.74 ± 0.11 5.9 ± 3.7 3sn6R2,3eml_A,4iaqA1,2ydoa,2rh1A1,3sn6R2,3eml_A,3zpqa,3emlA,2ks9A
HG0490 P48146 NPBW2_HUMAN -0.25 0.68 ± 0.12 7 ± 4.1 4mbsA1,3odu_A,4mbsA1,4ea3a,4mbsA1,4ea3B2,3odu_A,4ea3a,4djhA,4mbsA1
HG0491 Q8NGK3 O52K2_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0492 Q8NH21 OR4F5_HUMAN 0.05 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3vw7_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0493 B9EIN6 B9EIN6_HUMAN 0.05 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0494 A6NJZ3 O6C65_HUMAN 0.21 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0495 Q8NGG7 OR8A1_HUMAN -0.54 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0496 A4FVA5 A4FVA5_HUMAN -1.29 0.55 ± 0.15 9.99 ± 4.6 2ks9A,2ks9A,4grv_A,2ks9a,2ks9A,2ks9a,4grvA1,2ks9A,4grv_A,2ks9A
HG0497 Q8N146 OR8H3_HUMAN 0.01 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0498 B9EIN3 B9EIN3_HUMAN -0.28 0.68 ± 0.12 7 ± 4.1 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0499 P31391 SSR4_HUMAN -0.31 0.67 ± 0.12 7.4 ± 4.3 4mbsA1,3odu_A,2ks9A,2ks9a,4mbsA1,4djhA1,3odu_A,4ea3a,4djhA,2ks9A
HG0500 Q502V6 Q502V6_HUMAN 0.05 0.72 ± 0.11 6.1 ± 3.8 4djhA1,3odu_A,4djhA1,2z73a,3rzeA1,2z73A,3rze_A,2ks9a,3vw7A,3uonA1
HG0501 Q8NH66 Q8NH66_HUMAN -0.46 0.65 ± 0.13 7.1 ± 4.2 3uonA1,3uon_A,3emlA1,3emla,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0502 Q496D7 Q496D7_HUMAN 0.1 0.73 ± 0.11 6 ± 3.7 4djhA1,3vw7_A,4djhA1,2z73a,3a6pA1,1gzmA,3eml_A,2ks9a,3vw7A,4djhA1
HG0503 P25021 HRH2_HUMAN 0.69 0.81 ± 0.09 5.1 ± 3.3 4iaqA1,2rh1_A,2ks9A,2ycya,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,2ks9A
HG0504 Q8TDS5 OXER1_HUMAN 0.5 0.78 ± 0.1 5.9 ± 3.7 4mbsA1,4ea3B,3vw7_A,4ea3B,4mbsA1,4ea3B,4mbsA1,4ea3B,4mbsA1,4ea3B
HG0505 Q8NH54 O56A3_HUMAN -0.32 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0506 P34982 OR1D2_HUMAN 0.06 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0507 Q8NGR3 OR1K1_HUMAN -0.01 0.71 ± 0.11 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0508 P47883 OR3A4_HUMAN -0.86 0.61 ± 0.14 8.4 ± 4.5 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0509 P30954 O10J1_HUMAN -0.62 0.64 ± 0.13 7.7 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0510 Q5ZGX3 Q5ZGX3_HUMAN -0.96 0.59 ± 0.14 9.1 ± 4.6 4ib4A,2rh1_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
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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