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
HG0240 A6NND4 O2AT4_HUMAN -0.21 0.69 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0241 Q8NGE2 O2AP1_HUMAN 0.14 0.73 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0242 P47211 GALR1_HUMAN -0.31 0.67 ± 0.12 7.2 ± 4.2 4djhA1,2rh1_A,4mbsA1,4ea3a,1l9ha,4djhA1,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0243 Q9NS66 GP173_HUMAN -0.4 0.66 ± 0.13 7.5 ± 4.3 4iaqA,3uon_A,4iaqA,3zpqa,4ib4A,4ib4A,3uon_A,3pbla,4ib4A,4iaqA
HG0244 Q8NG81 OR2M7_HUMAN 0.26 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0245 P51679 CCR4_HUMAN -1.41 0.54 ± 0.15 9.8 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0246 Q8NGM9 OR8D4_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0247 Q8NGL5 Q8NGL5_HUMAN -0.31 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0248 Q8NGA1 OR1M1_HUMAN 0.19 0.74 ± 0.11 5.9 ± 3.7 3uonA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0249 Q9GZK6 OR2J1_HUMAN -0.12 0.7 ± 0.12 6.5 ± 3.9 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0250 Q8NGD1 OR4N2_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0251 Q96P88 GNRR2_HUMAN 0.22 0.74 ± 0.11 4.6 ± 3.1 4iaqA1,3pbl_A,4iaqA1,3zpqa,3rzeA1,3uonA1,4grv_A,4ldea,4grvA,4iaqA1
HG0252 P30874 SSR2_HUMAN -0.27 0.68 ± 0.12 7.2 ± 4.2 4mbsA1,2rh1_A,4mbsA1,4ea3a,4mbsA1,4ea3B2,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0253 Q8NGY5 OR6N1_HUMAN -0.23 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0254 P0C7N1 OR8U8_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0255 A4D2H9 A4D2H9_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0256 Q99677 LPAR4_HUMAN -0.92 0.6 ± 0.14 8.7 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0257 P0C646 O52Z1_HUMAN 0.56 0.79 ± 0.09 5 ± 3.2 3pblA1,2rh1_A,3emlA1,2ydoa,3emlA1,1gzmA,2rh1_A,4gpoa,3emlA1,3emlA1
HG0258 A6NM03 O2AG2_HUMAN 0.13 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0259 Q4VBP1 Q4VBP1_HUMAN -1.69 0.51 ± 0.15 9.99 ± 4.6 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0260 O00574 CXCR6_HUMAN -1.13 0.57 ± 0.14 9 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0261 O00254 PAR3_HUMAN 0.4 0.77 ± 0.1 5.8 ± 3.6 4mbsA1,4ea3B,3vw7_A,4ea3B,4mbsA1,4ea3B,4mbsa,4mbsA1,4mbsA1,3vw7_A
HG0262 Q8WY01 Q8WY01_HUMAN -0.16 0.69 ± 0.12 7 ± 4.1 3sn6R2,3uon_A,3sn6R2,3zpqa,4ib4A,4ib4A,3uon_A,3zpqa,3uonA,3sn6R2
HG0263 Q9NYW4 TA2R5_HUMAN -0.09 0.7 ± 0.12 6.4 ± 3.9 4mbsA1,3rze_A,4djhA1,2z73a,3rzeA1,2z73A,4grv_A,2z73a,3vw7A,3uonA1
HG0264 Q9NS75 CLTR2_HUMAN -1.19 0.57 ± 0.15 9.2 ± 4.6 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0265 Q8NGJ7 O51A2_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0266 Q15760 GPR19_HUMAN -2.21 0.45 ± 0.15 9.99 ± 4.4 4iaqA1,2rh1_A,4iaqA1,2ycwa,1l9ha,3pblA1,2rh1_A,4ea3a,4ea3B,4iaqA1
HG0267 Q96CH1 GP146_HUMAN 0.1 0.73 ± 0.11 6.2 ± 3.8 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,2lnlA,4grv_A,4ea3a,4ea3B,4mbsA1
HG0268 Q6IEZ2 Q6IEZ2_HUMAN 0.74 0.81 ± 0.09 4.6 ± 3 4iaqA1,4dkl_A,3emlA1,2ydoa,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0269 Q8NGC4 O10G3_HUMAN -0.23 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0270 Q86SJ4 Q86SJ4_HUMAN -0.3 0.67 ± 0.12 7 ± 4.1 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,2z73A,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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