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
HG0060 Q8IVW0 Q8IVW0_HUMAN -1.53 0.53 ± 0.15 9.99 ± 4.6 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,3uona,3uonA,3uonA
HG0061 Q99680 GPR22_HUMAN -0.62 0.63 ± 0.13 8.4 ± 4.5 4iaqA,2rh1_A,2ks9A,3zpqa,4ib4A,4iaqA1,2rh1_A,3zpqa,2ks9A,2ks9A
HG0062 Q8NHC1 Q8NHC1_HUMAN -0.18 0.69 ± 0.12 6.8 ± 4.1 4iaqA1,4grv_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0063 Q5QIP0 Q5QIP0_HUMAN -1.1 0.58 ± 0.14 9 ± 4.6 4mbsA,4mbsa,4mbsA,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1
HG0064 P32745 SSR3_HUMAN -1.21 0.56 ± 0.15 9.7 ± 4.6 4mbsA1,3odu_A,2ks9A,2ks9a,4mbsA1,4ea3B2,3odu_A,4ea3a,4djhA,2ks9A
HG0065 A0N0N3 A0N0N3_HUMAN -0.96 0.59 ± 0.14 8.6 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0066 Q71V90 Q71V90_HUMAN 0.49 0.78 ± 0.1 5 ± 3.2 4dkl_A,4dkl_A,4djhA,4djha,4djhA1,4djhA,4djha,4djhA1,4djhA1,4djhA1
HG0067 Q6IEV1 Q6IEV1_HUMAN 0.02 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0068 Q9UGF6 OR5V1_HUMAN -0.19 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0069 Q8NGG9 Q8NGG9_HUMAN 0.01 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0070 Q9Y2T5 GPR52_HUMAN -0.26 0.68 ± 0.12 7.2 ± 4.2 3sn6R2,3uon_A,4iaqA1,2z73a,2rh1A1,4iaqA1,3uon_A,3zpqa,3sn6R,4iaqA1
HG0071 Q8NH91 Q8NH91_HUMAN -0.21 0.69 ± 0.12 6.8 ± 4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0072 Q5TZ20 OR2G6_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0073 Q6IEY1 OR4F3_HUMAN -0.11 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0074 B2RND4 B2RND4_HUMAN -1.58 0.52 ± 0.15 9.99 ± 4.6 4iaqA1,3odu_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0075 Q8N0Y5 OR8I2_HUMAN 0.2 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0076 Q8NGS1 OR1J4_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0077 Q9BXC1 GP174_HUMAN 0.25 0.75 ± 0.11 5.9 ± 3.7 4mbsA1,4dkl_A,4mbsA1,4mbsa,4mbsA1,2lnlA,3odu_A,4mbsa,3vw7A,4mbsA1
HG0078 Q96AM1 MRGRF_HUMAN -0.75 0.62 ± 0.14 8.2 ± 4.4 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,2lnlA,2rh1_A,4ea3a,4ea3B,4ea3B2
HG0079 Q14968 Q14968_HUMAN -0.45 0.66 ± 0.13 7.3 ± 4.2 4ldea,4mbs_A,4ldea,4iaqA,4ea3B,2rh1A1,2ks9A,2ks9A,4mbs_A,2ks9A
HG0080 P46089 GPR3_HUMAN -0.62 0.63 ± 0.13 7.8 ± 4.4 3sn6R2,4grv_A,4iaqA1,3vg9a,4iaqA1,4iaqA1,4grv_A,3zpqa,3emlA,4iaqA1
HG0081 A6NHG9 O5H14_HUMAN -0.08 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0082 P51685 CCR8_HUMAN -0.96 0.59 ± 0.14 8.7 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0083 O00325 O00325_HUMAN 0.34 0.76 ± 0.1 6.1 ± 3.8 2ks9A,2rh1_A,2ks9A,2ks9a,1l9ha,1gzmA,4grv_A,2ks9a,2ks9A,2ks9A
HG0084 Q8NGA6 O10H5_HUMAN -0.19 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0085 Q6IF42 OR2A2_HUMAN -0.35 0.67 ± 0.13 7.1 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0086 Q8NGC9 O11H4_HUMAN -0.5 0.65 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0087 Q8WZ84 OR8D1_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0088 Q8NH02 O2T29_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0089 O60412 OR7C2_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0090 Q9NYW2 TA2R8_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4mbsA1,3odu_A,4djhA1,3vg9a,3rzeA1,2z73A,3rze_A,2ks9a,2ks9A,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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