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-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
HG0270 Q86SJ4 Q86SJ4_HUMAN -0.3 0.67 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0271 Q9NZP5 O5AC2_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0272 P04000 OPSR_HUMAN 0.57 0.79 ± 0.09 5.4 ± 3.4 2z73A,1u19_A,2g87A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,2g87A
HG0273 A1A5B2 A1A5B2_HUMAN -0.67 0.63 ± 0.14 8 ± 4.4 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0274 Q96P69 GPR78_HUMAN -1.24 0.56 ± 0.15 9.4 ± 4.6 3sn6R2,2rh1_A,3sn6R2,2ycya,2rh1A1,3sn6R2,2rh1_A,3zpqa,3emlA,3sn6R2
HG0275 Q8TCB6 O51E1_HUMAN -0.22 0.69 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0276 Q8NHB5 Q8NHB5_HUMAN -0.18 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0277 Q8NGY7 O10J6_HUMAN -0.24 0.68 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG0278 Q96RB7 OR5MB_HUMAN -0.12 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0279 Q8NGJ4 O52E2_HUMAN -0.27 0.68 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0280 Q8NGV5 O13D1_HUMAN -1.55 0.52 ± 0.15 9.99 ± 4.6 4iaqA1,3odu_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0281 A6NMZ5 O4C45_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0282 Q9HC97 GPR35_HUMAN 0.57 0.79 ± 0.09 5.1 ± 3.3 4mbsA1,3uon_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4grv_A,4mbsa,3vw7A,4mbsA1
HG0283 Q548Y0 Q548Y0_HUMAN -2.47 0.43 ± 0.14 9.99 ± 4.2 4mbsA,3odu_A,4iaqA1,2ycya,1l9ha,3sn6R2,3odu_A,3zpqa,4grvA,4iaqA1
HG0284 Q9P1P4 TAAR3_HUMAN 0 0.71 ± 0.11 6.5 ± 3.9 3sn6R2,2rh1_A,3sn6R2,2ycya,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0285 Q5EKM9 Q5EKM9_HUMAN -0.86 0.61 ± 0.14 8.5 ± 4.5 4mbsA,4mbsA,4mbsa,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA,4mbsA
HG0286 P46094 XCR1_HUMAN -0.21 0.69 ± 0.12 6.9 ± 4.1 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0287 Q96G91 P2Y11_HUMAN -0.9 0.6 ± 0.14 8.7 ± 4.5 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0288 Q9Y5N1 HRH3_HUMAN -0.72 0.62 ± 0.14 8.7 ± 4.5 4iaqA,3uon_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,3uonA,4iaqA
HG0289 Q8NG84 O2AK2_HUMAN -0.56 0.64 ± 0.13 7.7 ± 4.3 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0290 P51582 P2RY4_HUMAN -0.29 0.68 ± 0.12 7.2 ± 4.2 4mbsA1,4dkl_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0291 P21453 S1PR1_HUMAN -1.73 0.5 ± 0.15 9.99 ± 4.6 3v2y_A,3v2y_A,3v2wA,3v2wa,3v2wA,3v2wA1,3v2wA1,3v2wA,3v2wA1,3v2wA1
HG0292 O00398 P2Y10_HUMAN 0.06 0.72 ± 0.11 6.3 ± 3.9 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0293 Q8NGE8 OR4D9_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0294 Q8NGS0 OR1N1_HUMAN -0.02 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0295 Q8NGP4 OR5M3_HUMAN -0.09 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0296 P30556 AGTR1_HUMAN -0.53 0.65 ± 0.13 7.8 ± 4.4 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0297 Q86UH0 Q86UH0_HUMAN -0.9 0.6 ± 0.14 8.3 ± 4.5 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,2vt4A,4grv_A,2ydoa,3emlA1,3emlA1
HG0298 Q4W594 Q4W594_HUMAN -1.51 0.53 ± 0.15 9.99 ± 4.6 4ib4A,2rh1_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0299 P59536 T2R41_HUMAN -0.23 0.68 ± 0.12 6.7 ± 4 4djhA1,2rh1_A,4djhA1,2z73a,3rzeA1,1gzmA,3rze_A,4ea3a,3vw7A,3uonA1
HG0300 A1A4W1 A1A4W1_HUMAN -2.46 0.43 ± 0.14 9.99 ± 4.3 4grvA1,4grv_A,4grvA1,3vg9a,3rzeA1,3sn6R2,4grv_A,4ea3a,4grvA,4grvA1
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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