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
HG0180 O76002 OR2J2_HUMAN -0.02 0.71 ± 0.12 6.3 ± 3.9 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0181 O15354 GPR37_HUMAN -2.82 0.39 ± 0.13 9.99 ± 3.6 2ks9A,4ldea,2rh1_A,2ks9A,2ks9a,2ks9A,2ks9A,4dkl_A,2ks9a,2ks9A
HG0182 P43116 PE2R2_HUMAN 0.12 0.73 ± 0.11 6.3 ± 3.9 4iaqA1,2rh1_A,4iaqA1,3vg9a,1l9ha,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG0183 Q6IFH4 OR6B2_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0184 Q96R09 OR5B2_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0185 P41586 PACR_HUMAN -0.65 0.63 ± 0.13 8.6 ± 4.5 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4l6ra,4k5y_A,4l6rA,4l6rA
HG0186 A8KAG8 A8KAG8_HUMAN -0.91 0.6 ± 0.14 8.9 ± 4.6 3sn6R2,2rh1_A,3sn6R,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,2rh1A,3sn6R2
HG0187 Q8NGL3 OR5DE_HUMAN -0.34 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0188 Q8NGL9 OR4CG_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0189 Q9Y5P0 O51B4_HUMAN -0.31 0.67 ± 0.13 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0190 Q99705 MCHR1_HUMAN -0.37 0.67 ± 0.13 7.7 ± 4.3 4mbsA1,4ea3B,2rh1_A,4ea3B,4mbsA1,4ea3B,4ea3a,4ea3B,4mbsA1,4ea3B
HG0191 Q5QIN9 Q5QIN9_HUMAN -1.12 0.57 ± 0.14 9.1 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0192 P49146 NPY2R_HUMAN -1.05 0.58 ± 0.14 9.1 ± 4.6 4mbsA1,2rh1_A,4mbsA1,4ea3a,1l9ha,4djhA1,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0193 O14581 OR7AH_HUMAN 0.19 0.74 ± 0.11 5.8 ± 3.7 3uonA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0194 B2RU23 B2RU23_HUMAN -0.89 0.6 ± 0.14 8.6 ± 4.5 4iaqA1,2rh1_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0195 A8K858 A8K858_HUMAN 0.84 0.83 ± 0.08 4.6 ± 3 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0196 Q8NGP3 OR5M9_HUMAN 0.17 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0197 P14416 DRD2_HUMAN -1.44 0.54 ± 0.15 9.99 ± 4.6 4ib4A,3pbl_A,4iaqA,3uona,4iaqA,4iaqA,3pbl_A,4iaqa,4ib4A,3uonA
HG0198 Q9UN26 Q9UN26_HUMAN -0.43 0.66 ± 0.13 7.4 ± 4.3 4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0199 P46095 GPR6_HUMAN -0.43 0.66 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,4iaqA1,4ldea,4iaqA1,4iaqA1,3pbl_A,3zpqa,3sn6R,4iaqA1
HG0200 Q8NGZ9 O2T10_HUMAN -0.34 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0201 Q9H343 O51I1_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0202 Q8NH93 OR1L3_HUMAN -0.18 0.69 ± 0.12 6.8 ± 4 4iaqA1,2rh1_A,3emlA1,3emla,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0203 Q7Z3T1 OR2W3_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0204 Q9H208 O10A2_HUMAN 0.63 0.8 ± 0.09 4.9 ± 3.2 4iaqA1,4grv_A,3emlA1,2ydoa,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0205 Q8N7J6 Q8N7J6_HUMAN -0.65 0.63 ± 0.13 7.6 ± 4.3 4ea3B2,2rh1_A,4mbsA1,4mbsa,4mbsA1,2lnlA,2rh1_A,4ea3a,4djhA,4ea3B2
HG0206 P25089 FPR3_HUMAN -0.43 0.66 ± 0.13 7.5 ± 4.3 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0207 Q8TDU6 GPBAR_HUMAN -0.49 0.65 ± 0.13 7.5 ± 4.3 3sn6R2,3eml_A,4iaqA1,3vg9a,4iaqA1,4iaqA1,3eml_A,3zpqa,3emlA,3sn6R2
HG0208 P43657 LPAR6_HUMAN -0.2 0.69 ± 0.12 6.9 ± 4.1 4mbsA1,4dkl_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0209 A1A4V4 A1A4V4_HUMAN -0.59 0.64 ± 0.13 8.1 ± 4.4 3pblA,3pbla,3pblA,3pblA,3pblA,3pbla,3pbl_A,3pbl_A,3pblA,3pblA
HG0210 Q6ZMI9 Q6ZMI9_HUMAN -2.31 0.44 ± 0.14 9.99 ± 4.2 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4dlqA2
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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