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
HG0420 P08172 ACM2_HUMAN 0.2 0.74 ± 0.11 6.7 ± 4 3uon_A,3uon_A,3uonA,3uonA,3uona,3uona,3uonA,3uonA,3uonA,3uonA
HG0421 A6NMS3 OR5K4_HUMAN -0.35 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0422 Q8NGW1 OR6B3_HUMAN -0.27 0.68 ± 0.12 7 ± 4.1 4iaqA1,3vw7_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0423 Q1JUL6 Q1JUL6_HUMAN -0.07 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3odu_A,3emlA1,2ydoa,2rh1A1,4iaqA1,2rh1_A,3emla,3sn6R,3emlA1
HG0424 P30542 AA1R_HUMAN 0.8 0.82 ± 0.08 4.7 ± 3.1 3sn6R2,3eml_A,4iaqA1,2ydoa,2rh1A1,3sn6R2,3eml_A,3zpqa,3emlA,3d4sA1
HG0425 Q8NGC6 OR4KH_HUMAN -0.35 0.67 ± 0.13 7.1 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0426 A0N0W7 A0N0W7_HUMAN -0.36 0.67 ± 0.13 7.2 ± 4.2 4iaqA1,3odu_A,3emlA1,3vg9a,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,4iaqA1
HG0427 Q8N349 OR2LD_HUMAN 0.17 0.74 ± 0.11 5.9 ± 3.7 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0428 Q8NGB4 OR4S1_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0429 P51684 CCR6_HUMAN -1.46 0.53 ± 0.15 9.99 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0430 Q8NGQ3 OR1S2_HUMAN -0.55 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0431 Q8NGN0 OR4D5_HUMAN -0.22 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0432 Q9GZK3 OR2B2_HUMAN -1.15 0.57 ± 0.15 9.2 ± 4.6 3pblA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0433 Q96R47 O2A14_HUMAN -0.13 0.7 ± 0.12 6.5 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0434 Q9UN25 Q9UN25_HUMAN -0.36 0.67 ± 0.13 7.2 ± 4.2 4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0435 A3KFT3 OR2M5_HUMAN 0.05 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0436 Q8NGQ2 OR6Q1_HUMAN -0.11 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0437 B0EX00 B0EX00_HUMAN -1.06 0.58 ± 0.14 8.9 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0438 Q8NGT1 OR2K2_HUMAN -1.27 0.56 ± 0.15 9.4 ± 4.6 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0439 Q86SH1 Q86SH1_HUMAN -0.38 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0440 O14843 FFAR3_HUMAN -1.27 0.56 ± 0.15 9.4 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3vw7_A,4ea3a,3vw7A,4mbsA1
HG0441 Q86SH3 Q86SH3_HUMAN -0.52 0.65 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0442 Q8NGS8 O13C5_HUMAN -0.34 0.67 ± 0.13 7.1 ± 4.1 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG0443 Q8NHC4 O10J5_HUMAN -0.04 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0444 Q8NGJ5 O51L1_HUMAN -0.24 0.68 ± 0.12 6.8 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0445 B9EIM0 B9EIM0_HUMAN 0.15 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0446 Q8NGD4 OR4K1_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0447 O95221 OR5F1_HUMAN -0.01 0.71 ± 0.11 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0448 P30411 BKRB2_HUMAN -1.66 0.51 ± 0.15 9.99 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0449 Q8NH87 OR9G1_HUMAN -0.18 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
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


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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