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
HG0390 Q13606 OR5I1_HUMAN 0.09 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0391 Q8NGG6 OR8BC_HUMAN 0.02 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0392 Q8NEN2 Q8NEN2_HUMAN 0.34 0.76 ± 0.1 5.9 ± 3.7 4ib4A,3uon_A,4iaqA1,3zpqa,4ib4A,4ib4A,3uon_A,3zpqa,4ib4A,4iaqA1
HG0393 Q14330 GPR18_HUMAN -0.13 0.7 ± 0.12 6.7 ± 4 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4ea3a,3vw7A,4mbsA1
HG0394 Q6UR94 Q6UR94_HUMAN -0.37 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,3odu_A,4iaqA1,3vg9a,2rh1A1,4iaqA1,2rh1_A,3qaka,3sn6R,4iaqA1
HG0395 Q8NGK0 O51G2_HUMAN -0.16 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0396 Q8IV17 Q8IV17_HUMAN -0.33 0.67 ± 0.13 7.8 ± 4.4 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0397 O15529 GPR42_HUMAN -0.42 0.66 ± 0.13 7.4 ± 4.3 4mbsA1,3vw7_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,2rh1_A,4ea3a,3vw7A,4mbsA1
HG0398 Q8TDT8 Q8TDT8_HUMAN 0.34 0.76 ± 0.1 6.3 ± 3.8 4jkvA,4jkv_A,4jkvA,4jkva,4jkvA,4jkvA,4jkv_A,4jkva,4jkvA,4jkvA
HG0399 P30550 GRPR_HUMAN 0.58 0.79 ± 0.09 5.5 ± 3.5 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,4ea3B2,4grv_A,2ks9a,2ks9A,2ks9A
HG0400 Q8NGM0 Q8NGM0_HUMAN 0.47 0.78 ± 0.1 5.2 ± 3.3 4iaqA1,4dkl_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0401 B2RU22 B2RU22_HUMAN -0.46 0.65 ± 0.13 7.3 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0402 Q13167 Q13167_HUMAN -0.76 0.62 ± 0.14 8.5 ± 4.5 3pbl_A,3pblA,3pblA,3pbl_A,3pblA,3pblA,3pblA,3pbla,3pblA,3pblA
HG0403 B7ZMA2 B7ZMA2_HUMAN 0.42 0.77 ± 0.1 5.4 ± 3.4 4mbsA1,3odu_A,2ks9A,2ks9a,4mbsA,2ks9A1,2rh1_A,2ks9a,2ks9A,2ks9A
HG0404 Q8N628 OR2C3_HUMAN 0.21 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0405 Q8NGL0 OR5L2_HUMAN -0.22 0.68 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0406 Q8NGA8 O4F17_HUMAN 0.02 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0407 P43119 PI2R_HUMAN -0.52 0.65 ± 0.13 7.9 ± 4.4 2ks9A,2rh1_A,2ks9A,2z73a,1l9ha,2z73A,2rh1_A,2ks9a,2ks9A,2ks9A
HG0408 A6NM76 O6C76_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0409 Q8NG75 OR5T1_HUMAN -0.5 0.65 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0410 P46091 GPR1_HUMAN -0.33 0.67 ± 0.13 7.3 ± 4.2 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0411 C6ES44 C6ES44_HUMAN 0.82 0.82 ± 0.08 4.9 ± 3.2 4iaqA1,3vw7_A,2ks9A,3vg9a,3sn6R2,3rzeA1,4grv_A,3zpqa,3emlA,2ks9A
HG0412 Q9Y585 OR1A2_HUMAN -0.13 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0413 P0C7T3 O56A5_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0414 P59533 T2R38_HUMAN -0.36 0.67 ± 0.13 7.2 ± 4.2 4mbsA1,3vw7_A,4djhA1,2z73a,3a6pA1,2z73A,3vw7_A,4ea3a,3vw7A,4djhA1
HG0415 Q8NH90 O5AK2_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0416 B2R9L7 B2R9L7_HUMAN -0.02 0.71 ± 0.12 6.8 ± 4 2ks9A,4grv_A,2ks9A,2ks9a,1l9ha,3pblA1,2rh1_A,2ks9a,2ks9A,2ks9A
HG0417 Q9GZP7 VN1R1_HUMAN -1.47 0.53 ± 0.15 9.9 ± 4.6 2z73A,3odu_A,2ks9A,1l9ha,3a6pA1,2z73A,2rh1_A,1l9ha,2ks9A,4grvA1
HG0418 Q8NG98 OR7D4_HUMAN -0.13 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0419 P47901 V1BR_HUMAN -0.53 0.65 ± 0.13 8.1 ± 4.4 2ks9A,3odu_A,2ks9A,2ks9a,2ks9A,3sn6R2,2rh1_A,2ks9a,2ks9A,2ks9A
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
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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