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
HG0360 P13945 ADRB3_HUMAN -0.96 0.59 ± 0.14 9 ± 4.6 3sn6R2,2rh1_A,3sn6R,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,2rh1A,3sn6R2
HG0361 Q9UPC5 GPR34_HUMAN -1.23 0.56 ± 0.15 9.5 ± 4.6 4mbsA1,4grv_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0362 Q6GPG7 Q6GPG7_HUMAN 0.67 0.8 ± 0.09 5.1 ± 3.3 3sn6R2,3v2y_A,2ks9A,3vg9a,2rh1A1,3pblA1,3v2y_A,3zpqa,3emlA,2ks9A
HG0363 Q8NH56 O52N5_HUMAN -0.58 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0364 Q96R08 OR5BC_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0365 Q99678 GPR20_HUMAN -0.8 0.61 ± 0.14 8.4 ± 4.5 4mbsA1,2rh1_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0366 Q96LB2 MRGX1_HUMAN -0.4 0.66 ± 0.13 7.2 ± 4.2 4mbsA1,3eml_A,4mbsA1,4mbsa,4mbsA1,2lnlA,4grv_A,4ea3a,4ea3B,4mbsA1
HG0367 Q96R30 OR2V2_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0368 Q8NH43 OR4L1_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0369 Q8NGX3 O10T2_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0370 B9EIP2 B9EIP2_HUMAN -0.12 0.7 ± 0.12 6.5 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0371 Q8NGY0 O10X1_HUMAN -0.69 0.63 ± 0.14 7.9 ± 4.4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0372 Q8NGK5 O52M1_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3rzeA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0373 P50052 AGTR2_HUMAN -0.72 0.62 ± 0.14 8.2 ± 4.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,4mbsA,4mbsA1
HG0374 Q8NGF7 OR5BH_HUMAN 0.19 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0375 Q8TDU9 RL3R2_HUMAN -0.52 0.65 ± 0.13 7.8 ± 4.4 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0376 Q86SG9 Q86SG9_HUMAN -0.48 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0377 Q9NYW6 TA2R3_HUMAN 0.14 0.73 ± 0.11 6 ± 3.7 4mbsA1,3uon_A,4djhA1,2z73a,3rzeA1,1gzmA,3vw7_A,4ea3a,3vw7A,4djhA1
HG0378 Q8NH89 O5AK3_HUMAN -0.17 0.69 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0379 Q6IFR3 Q6IFR3_HUMAN -0.02 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0380 C7E9I8 C7E9I8_HUMAN -0.35 0.67 ± 0.13 6.9 ± 4.1 4dkl_A,4dkl_A,4djhA,4djhA,4djhA,4djha,4djhA,4djhA,4djhA1,4djhA
HG0381 Q6IF00 OR2T2_HUMAN -0.29 0.68 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0382 P18089 ADA2B_HUMAN 0.27 0.75 ± 0.1 6.5 ± 3.9 2rh1A,3odu_A,3uonA,3uona,4ib4A,2rh1A,2rh1_A,4iaqa,4ib4A,3uonA
HG0383 A6NMU1 O52A4_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3sn6R2,2rh1_A,4gpoa,3emlA1,3emlA1
HG0384 Q5EKN0 Q5EKN0_HUMAN -1.01 0.59 ± 0.14 8.8 ± 4.6 4mbsA,4mbsA1,4mbsA1,4mbsA,4mbsA,4mbsA,4mbsA1,4mbsA,4mbsA1,4mbsA1
HG0385 Q9BPV8 P2Y13_HUMAN -1.09 0.58 ± 0.14 9 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0386 Q8NGB9 OR4F6_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0387 Q9GZM6 OR8D2_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0388 Q8IXE4 Q8IXE4_HUMAN -0.77 0.62 ± 0.14 8.5 ± 4.5 4k5yA2,4k5y_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA2
HG0389 Q16570 ACKR1_HUMAN -1.84 0.49 ± 0.15 9.99 ± 4.6 4mbsA1,4grv_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,3oduA,4mbsA1
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


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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