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
HG0300 A1A4W1 A1A4W1_HUMAN -2.46 0.43 ± 0.14 9.99 ± 4.3 4grvA1,4grv_A,4grvA1,3vg9a,3rzeA1,3sn6R2,4grv_A,4ea3a,4grvA,4grvA1
HG0301 Q8NI49 Q8NI49_HUMAN -0.61 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,3uon_A,3uonA,3zpqa,4iaqA,4iaqA,3uon_A,3zpqa,3uonA,3sn6R2
HG0302 Q8NH40 OR6S1_HUMAN -0.43 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,4grv_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0303 Q6NWS8 Q6NWS8_HUMAN -0.61 0.64 ± 0.13 7.8 ± 4.4 4iaqA1,3pbl_A,4iaqA1,3vg9a,4iaqA1,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG0304 P08100 OPSD_HUMAN 1.85 0.98 ± 0.05 2.8 ± 2 2hpyA,2hpyA,2hpyA,2hpyA,2hpyA,2hpyA,2hpyA,2g87A,1u19A,1u19_A
HG0305 Q9H341 O51M1_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0306 Q8NGL2 OR5L1_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0307 P51810 GP143_HUMAN -2.41 0.43 ± 0.14 9.99 ± 4.3 4k5yA2,2ziya,4grv_A,4l6rA,4l6ra,4jkvA2,4k5yA2,4l6r_A,4l6ra,4l6rA
HG0308 O15552 FFAR2_HUMAN -0.38 0.66 ± 0.13 7.2 ± 4.2 4mbsA1,2rh1_A,4djhA1,4ea3a,4mbsA1,4djhA1,3vw7_A,4ea3a,3vw7A,4djhA1
HG0309 Q8NH48 OR5B3_HUMAN 0.23 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0310 Q96R67 OR4CC_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0311 Q8TCW9 PKR1_HUMAN -1.03 0.58 ± 0.14 9.1 ± 4.6 4mbsA1,4grv_A,4grvA1,4ea3a,1l9ha,4ea3B2,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0312 P21728 DRD1_HUMAN -2.4 0.43 ± 0.14 9.99 ± 4.2 3sn6R,2rh1_A,3sn6R2,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0313 Q6NWS6 Q6NWS6_HUMAN -0.77 0.62 ± 0.14 8.1 ± 4.4 4iaqA1,3pbl_A,4iaqA1,3vg9a,4iaqA1,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG0314 P33765 AA3R_HUMAN 0.21 0.74 ± 0.11 5.9 ± 3.7 3sn6R2,3eml_A,4iaqA1,2ycya,2rh1A1,3sn6R2,3eml_A,3zpqa,3emlA,4iaqA1
HG0315 P28336 NMBR_HUMAN -1.1 0.58 ± 0.14 9.3 ± 4.6 4grvA1,2rh1_A,4mbsA1,4ea3a,1l9ha,4ea3B2,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0316 Q96LA9 MRGX4_HUMAN -0.57 0.64 ± 0.13 7.6 ± 4.3 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,2lnlA,4grv_A,4ea3a,4ea3B,4mbsA1
HG0317 Q9Y3N9 OR2W1_HUMAN -0.13 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0318 Q8NGW6 OR6K6_HUMAN -1 0.59 ± 0.14 8.7 ± 4.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0319 Q8NGG0 OR8J3_HUMAN -0.06 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0320 A6ND48 O14I1_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0321 Q86SG0 Q86SG0_HUMAN -0.51 0.65 ± 0.13 7.4 ± 4.3 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0322 O75388 GPR32_HUMAN -0.45 0.66 ± 0.13 7.6 ± 4.3 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0323 Q99788 CML1_HUMAN -0.9 0.6 ± 0.14 8.7 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0324 P51677 CCR3_HUMAN -0.38 0.66 ± 0.13 7.4 ± 4.2 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0325 P60893 GPR85_HUMAN 0.18 0.74 ± 0.11 6.3 ± 3.8 4ib4A,3uon_A,4iaqA1,3zpqa,4ib4A,4ib4A,3uon_A,3zpqa,4ib4A,4iaqA1
HG0326 P0C645 OR4E1_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0327 Q8NGF4 O5AP2_HUMAN -0.39 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0328 Q52R94 Q52R94_HUMAN -2.39 0.44 ± 0.14 9.99 ± 4.5 4iaqA1,3odu_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0329 Q9NYW1 TA2R9_HUMAN 0.01 0.71 ± 0.11 6.3 ± 3.8 4djhA1,3vw7_A,4djhA1,2z73a,3rzeA1,2z73A,2rh1_A,4ea3a,3vw7A,4djhA1
HG0330 Q8NH51 OR8K3_HUMAN 0.02 0.72 ± 0.11 6.2 ± 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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