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
HG0450 A2RRF6 A2RRF6_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0451 O43194 GPR39_HUMAN -0.99 0.59 ± 0.14 9.4 ± 4.6 2ks9A,2ks9A,4grv_A,2ks9a,2ks9A,2ks9a,4grvA1,2ks9A,4grv_A,2ks9A
HG0452 Q6IEZ7 OR2T5_HUMAN -0.38 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0453 Q8NGL7 OR4P4_HUMAN -0.41 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0454 Q76L88 Q76L88_HUMAN 0.42 0.77 ± 0.1 5.4 ± 3.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,3vw7A1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0455 B7ZLG5 B7ZLG5_HUMAN 0.26 0.75 ± 0.1 6 ± 3.7 2z73A,1u19_A,2ks9A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,2ks9A
HG0456 Q8IXE2 Q8IXE2_HUMAN -0.33 0.67 ± 0.13 7.1 ± 4.2 4mbsA1,2rh1_A,4ea3B2,4mbsa,4mbsA1,2lnlA,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0457 Q6NWQ8 Q6NWQ8_HUMAN 0.1 0.73 ± 0.11 6.2 ± 3.8 4mbsA1,3vw7_A,2lnlA,4mbsa,4mbsA1,4mbsA1,2rh1_A,2ks9a,4mbsA,4mbsA1
HG0458 Q8NGG2 OR5T2_HUMAN -2.04 0.47 ± 0.15 9.99 ± 4.5 4iaqA1,3vw7_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0459 O60431 OR1I1_HUMAN -0.71 0.62 ± 0.14 8.1 ± 4.4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0460 P41231 P2RY2_HUMAN 0.15 0.73 ± 0.11 6.4 ± 3.9 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0461 Q8NH70 O4A16_HUMAN -0.4 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0462 Q8NHB8 OR5K2_HUMAN 0.11 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0463 Q8NGV7 OR5H2_HUMAN -0.37 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0464 Q17R53 Q17R53_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0465 Q86SI8 Q86SI8_HUMAN -0.72 0.62 ± 0.14 7.9 ± 4.4 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,2vt4A,4grv_A,2ydoa,3emlA1,3emlA1
HG0466 Q8NGS5 O13C4_HUMAN -0.05 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,1gzmA,2rh1_A,2ydoa,3emlA1,3emlA1
HG0467 Q506J9 Q506J9_HUMAN -2.28 0.45 ± 0.14 9.99 ± 4.3 3sn6R2,3sn6R,3pbl_A,3sn6R,2ks9A,4ldea,3vg9a,4ea3B,4iaqA1,4iaqA1
HG0468 O00590 ACKR2_HUMAN -2.01 0.47 ± 0.15 9.99 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0469 Q15722 LT4R1_HUMAN -0.49 0.65 ± 0.13 7.6 ± 4.3 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0470 Q8NGH5 O56A1_HUMAN -0.36 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0471 Q8NHB1 OR2V1_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0472 Q9HBW0 LPAR2_HUMAN 0.88 0.83 ± 0.08 4.7 ± 3.1 2ks9A,3v2y_A,2ks9A,2ks9a,1l9ha,3pblA1,3v2y_A,2ks9a,3emlA,2ks9A
HG0473 Q8NGY1 O10Z1_HUMAN 0.13 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0474 Q6IEX5 Q6IEX5_HUMAN 0.76 0.82 ± 0.09 4.6 ± 3 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0475 O15218 GP182_HUMAN -2.13 0.46 ± 0.15 9.99 ± 4.4 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0476 Q6IEW6 Q6IEW6_HUMAN -0.01 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0477 B9EIN0 B9EIN0_HUMAN 0.7 0.81 ± 0.09 4.7 ± 3.1 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,1gzmA,2rh1_A,2ydoa,3emlA1,3emlA1
HG0478 P21918 DRD5_HUMAN -2.08 0.47 ± 0.15 9.99 ± 4.4 3sn6R,2rh1_A,2ks9A,3zpqa,4ib4A,3sn6R2,2rh1_A,3zpqa,3sn6R,2ks9A
HG0479 Q8NGF2 Q8NGF2_HUMAN 0.49 0.78 ± 0.1 5.2 ± 3.3 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
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


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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