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.
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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
HG0600 Q8NH03 OR2T3_HUMAN -0.3 0.68 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0601 A6NKK0 OR5H1_HUMAN -0.08 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0602 Q8NGI6 OR4DA_HUMAN -0.13 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0603 P0C7T2 OR2T7_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3vw7_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0604 O43898 O43898_HUMAN 0.82 0.82 ± 0.08 5 ± 3.2 2ks9A,2rh1_A,2ks9A,2ks9a,2rh1A1,3sn6R2,2rh1_A,3zpqa,2ks9A,2ks9A
HG0605 A0N0W9 A0N0W9_HUMAN 0.21 0.74 ± 0.11 6 ± 3.7 4iaqA1,4grv_A,3emlA1,2ydoa,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,3emlA1
HG0606 A7E1X5 A7E1X5_HUMAN 0.3 0.75 ± 0.1 5.6 ± 3.5 4djhA1,3odu_A,4djhA1,1l9ha,3rzeA1,2z73A,3uon_A,2ks9a,3vw7A,3uonA1
HG0607 Q8NH18 OR5J2_HUMAN -0.09 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0608 P47881 OR3A1_HUMAN 0.02 0.72 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0609 P30953 OR1E1_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0610 Q49SQ1 GPR33_HUMAN 0.04 0.72 ± 0.11 6.3 ± 3.9 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0611 Q9UM77 Q9UM77_HUMAN -0.3 0.68 ± 0.12 6.7 ± 4 4iaqA1,3vw7_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0612 Q8NGI7 O10V1_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0613 Q3KNR3 Q3KNR3_HUMAN -0.08 0.7 ± 0.12 6.2 ± 3.8 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0614 Q6XGY1 Q6XGY1_HUMAN 1.13 0.87 ± 0.07 3.8 ± 2.6 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,2ks9A,2rh1_A,2ks9a,2ks9A,2ks9A
HG0615 B2R986 B2R986_HUMAN -0.25 0.68 ± 0.12 7 ± 4.1 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0616 Q8TDV2 GP148_HUMAN -0.91 0.6 ± 0.14 8.5 ± 4.5 4iaqA1,3odu_A,3emlA1,1l9ha,4iaqA1,4iaqA1,3vw7_A,2ydoa,2ks9A,3emlA1
HG0617 Q8IXB0 Q8IXB0_HUMAN -0.06 0.71 ± 0.12 6.6 ± 4 4ea3_A,4ea3_A,4ea3a,4ea3a,4ea3B,4ea3B2,4ea3B,4ea3B2,4ea3B2,4ea3B
HG0618 Q86SI3 Q86SI3_HUMAN -0.5 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0619 P49286 MTR1B_HUMAN 0.77 0.82 ± 0.09 5 ± 3.2 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,3rzeA1,2rh1_A,2ks9a,2ks9A,2ks9A
HG0620 Q32VQ0 OR4FL_HUMAN 0.62 0.8 ± 0.09 4.7 ± 3.1 3pblA1,3uon_A,3emlA1,1l9ha,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0621 Q6FGM5 Q6FGM5_HUMAN -0.45 0.66 ± 0.13 7.6 ± 4.3 4ea3_A,4ea3_A,4ea3a,4ea3a,4ea3B,4ea3B2,4ea3B2,4ea3B,4ea3B,4ea3B2
HG0622 Q8NGY3 OR6K3_HUMAN -0.49 0.65 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0623 Q4KN04 Q4KN04_HUMAN -0.22 0.68 ± 0.12 6.7 ± 4 4djhA1,3rze_A,4djhA1,2z73a,3rzeA1,1gzmA,3rze_A,2ks9a,2ks9A,4djhA1
HG0624 Q8NGV0 OR2Y1_HUMAN 0.25 0.75 ± 0.11 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0625 Q8NGR5 OR1L4_HUMAN -0.35 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0626 Q8NGC8 O11H7_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0627 Q86SI5 Q86SI5_HUMAN -0.68 0.63 ± 0.14 7.8 ± 4.4 4iaqA1,2rh1_A,3emlA1,3emla,3emlA1,2vt4A,4grv_A,2ydoa,3emlA1,3emlA1
HG0628 Q8NH69 OR5W2_HUMAN 0.16 0.73 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0629 Q9UKL2 O52A1_HUMAN -0.14 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3rzeA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0630 P59542 T2R19_HUMAN 0.2 0.74 ± 0.11 5.8 ± 3.6 4djhA1,3odu_A,4djhA1,2z73a,3rzeA1,1gzmA,3odu_A,2ks9a,3vw7A,4djhA1


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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