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
HG0900 B0EX01 B0EX01_HUMAN -1.13 0.57 ± 0.14 9.1 ± 4.6 4mbsA,4mbs_A,4mbsA,4mbs_A,4mbsa,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1
HG0901 Q6DWJ6 GP139_HUMAN 0.48 0.78 ± 0.1 5.5 ± 3.5 4mbsA1,4mbs_A,2ks9A,2ks9a,4mbsA,4ea3B2,4grv_A,2ks9a,2ks9A,2ks9A
HG0902 D2CFK4 D2CFK4_HUMAN -0.09 0.7 ± 0.12 6.2 ± 3.8 4ea3B2,4mbs_A,4ea3B2,4mbsa,4mbsA,4mbsA1,4mbs_A,4mbsa,4ea3B,4mbsA1
HG0903 Q8NH95 YI035_HUMAN -0.1 0.7 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0904 Q8TDV5 GP119_HUMAN -0.62 0.63 ± 0.13 7.8 ± 4.4 3sn6R2,4mbs_A,3sn6R2,2ycya,4iaqA1,4iaqA1,2rh1_A,3zpqa,3emlA,3sn6R2
HG0905 B2RN74 O11HC_HUMAN -0.51 0.65 ± 0.13 7.5 ± 4.3 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0906 Q8NG83 OR2M3_HUMAN -0.04 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0907 Q9Y271 CLTR1_HUMAN -0.14 0.69 ± 0.12 6.7 ± 4 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0908 Q6L5J4 Q6L5J4_HUMAN -0.67 0.63 ± 0.14 8 ± 4.4 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4mbs_A,4mbsa,4mbsA,4mbsA1
HG0909 Q5VT14 Q5VT14_HUMAN -0.44 0.66 ± 0.13 7.7 ± 4.3 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0910 P29274 AA2AR_HUMAN -2.36 0.44 ± 0.14 9.99 ± 4.3 3vg9a,3vg9a,4eiy_A,4eiy_A,4eiya,4eiya,3uzaa,3uzaa,3pwha,3eml_A
HG0911 Q8TDU1 Q8TDU1_HUMAN -2.57 0.42 ± 0.14 9.99 ± 4.2 2ks9A,2e4u_A,2ks9A,3ayma,4l8tA,2e4uA,2e4u_A,1l9ha,2e4xB,4l6rA2
HG0912 O95006 OR2F2_HUMAN -0.25 0.68 ± 0.12 6.8 ± 4.1 3pblA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0913 Q8NDV2 GPR26_HUMAN -0.49 0.65 ± 0.13 7.5 ± 4.3 3sn6R2,4mbs_A,3sn6R2,2ycya,2rh1A1,3sn6R2,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0914 Q8WXZ9 Q8WXZ9_HUMAN -0.64 0.63 ± 0.13 8.1 ± 4.4 3sn6R2,4mbs_A,3sn6R2,4ldea,4ib4A,4ib4A,2rh1_A,3zpqa,4ib4A,3sn6R2
HG0915 Q9NQS5 GPR84_HUMAN 0.21 0.74 ± 0.11 6.3 ± 3.9 4iaqA,4mbs_A,4iaqA,4iaqa,4iaqA,4ib4A,3uon_A,4iaqa,4ib4A,4iaqA
HG0916 Q6NWS7 Q6NWS7_HUMAN -0.73 0.62 ± 0.14 8 ± 4.4 4iaqA1,4mbs_A,4iaqA1,3vg9a,4iaqA1,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG0917 O14842 FFAR1_HUMAN 0.8 0.82 ± 0.08 4.5 ± 3 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0918 Q9H344 O51I2_HUMAN -0.12 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0919 Q6ZN22 Q6ZN22_HUMAN -1.13 0.57 ± 0.14 9.5 ± 4.6 4l6rA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4l6rA
HG0920 Q5CZ57 Q5CZ57_HUMAN -0.14 0.7 ± 0.12 7.2 ± 4.2 2ks9A,4mbs_A,2ks9A,2ks9a,1l9ha,1gzmA,4mbs_A,2ks9a,2ks9A,2ks9A
HG0921 P32249 GP183_HUMAN -0.19 0.69 ± 0.12 7 ± 4.1 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0922 B3SXS6 B3SXS6_HUMAN 0.93 0.84 ± 0.08 4.8 ± 3.1 4k5yA2,4k5y_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0923 Q8NG92 O13H1_HUMAN -0.04 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0924 Q8NH50 OR8K5_HUMAN -0.18 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0925 Q8NGI1 O56B2_HUMAN -0.25 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0926 Q8NG80 OR2L5_HUMAN -0.38 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0927 Q96RH0 Q96RH0_HUMAN 0.24 0.75 ± 0.11 6.6 ± 4 3uon_A,3uonA,3uonA,3uonA,3uona,3uona,3uonA,3uonA,3uonA,3uon_A
HG0928 Q6IF36 Q6IF36_HUMAN -0.59 0.64 ± 0.13 7.5 ± 4.3 4iaqA1,4mbs_A,3emlA1,3emla,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG0929 O95222 OR6A2_HUMAN -0.4 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0930 Q6ZMP9 Q6ZMP9_HUMAN -0.3 0.67 ± 0.12 7.4 ± 4.3 4mbsA1,4ea3B,4dkl_A,4ea3B,4mbsA1,4ea3B,4mbsa,4ea3B,4mbsA1,4ea3B


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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