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
HG0810 O95918 OR2H2_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0811 Q8NGN4 O10G9_HUMAN -0.07 0.7 ± 0.12 6.4 ± 3.9 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0812 Q9NPC1 LT4R2_HUMAN -0.48 0.65 ± 0.13 7.8 ± 4.4 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4mbs_A,4mbsa,4ea3B,4mbsA1
HG0813 O43614 OX2R_HUMAN -0.57 0.64 ± 0.13 8.3 ± 4.5 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,4mbs_A,2ks9a,2ks9A,2ks9A
HG0814 Q8NH49 OR4X1_HUMAN -0.31 0.67 ± 0.13 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0815 Q8NH06 OR1P1_HUMAN -0.4 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0816 Q96LB1 MRGX2_HUMAN -0.83 0.61 ± 0.14 8.2 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4ea3a,4mbsA1,4grvA1,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0817 Q86SF1 Q86SF1_HUMAN -0.38 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0818 Q8NGM1 OR4CF_HUMAN -0.25 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,2z73A,3uon_A,2ydoa,3emlA1,3emlA1
HG0819 Q8TDS7 MRGRD_HUMAN -0.56 0.64 ± 0.13 7.6 ± 4.3 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4djhA1,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0820 Q6IF99 O10K2_HUMAN -0.01 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0821 Q8NGA0 OR7G1_HUMAN 0.02 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0822 P58181 O10A3_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0823 A3KME5 A3KME5_HUMAN -0.22 0.68 ± 0.12 6.8 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0824 Q6IEU7 OR5MA_HUMAN 0.1 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0825 A4FU14 A4FU14_HUMAN -0.36 0.67 ± 0.13 7 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0826 Q8NHA7 Q8NHA7_HUMAN 0.22 0.74 ± 0.11 5.6 ± 3.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0827 Q8NGT9 OR2A1_HUMAN -0.14 0.7 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0828 B9EIK5 B9EIK5_HUMAN -0.01 0.71 ± 0.11 6.3 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0829 Q8NGZ3 O13G1_HUMAN 0.24 0.75 ± 0.11 5.7 ± 3.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0830 Q8NGE1 OR6C4_HUMAN 0.18 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0831 Q8NFZ6 VN1R2_HUMAN -3 0.37 ± 0.13 9.99 ± 3.8 2ziya,2z73A,4k6jA,4mbs_A,4ea3B,4grvA1,3a6pA1,2z73A,4ea3B,2rh1_A
HG0832 Q9BZJ8 GPR61_HUMAN -1.99 0.48 ± 0.15 9.99 ± 4.5 3sn6R2,4mbs_A,2ks9A,2ycya,4ib4A,4iaqA1,2rh1_A,3zpqa,3sn6R,2ks9A
HG0833 P47804 RGR_HUMAN 0.95 0.84 ± 0.08 4.2 ± 2.8 2z73A,4mbs_A,3uonA1,2z73a,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2z73A
HG0834 Q86UG7 Q86UG7_HUMAN -1 0.59 ± 0.14 8.5 ± 4.5 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0835 P03999 OPSB_HUMAN 1.24 0.88 ± 0.07 4 ± 2.7 1u19A,4mbs_A,2ks9A,1l9ha,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2ks9A
HG0836 Q96RH1 Q96RH1_HUMAN -0.55 0.64 ± 0.13 8.3 ± 4.5 3uonA,3uon_A,3uonA,3uona,4ib4A,4ib4A,3uon_A,4iaqa,3uonA,3uonA
HG0837 P59539 T2R45_HUMAN 0.12 0.73 ± 0.11 5.9 ± 3.7 4djhA1,4mbs_A,4djhA1,3vg9a,3rzeA1,1gzmA,3odu_A,2ks9a,3vw7A,4djhA1
HG0838 O14804 TAAR5_HUMAN 0.14 0.73 ± 0.11 6.1 ± 3.8 3sn6R2,4mbs_A,4iaqA1,2ycwa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,4iaqA1
HG0839 Q147U0 Q147U0_HUMAN 0.05 0.72 ± 0.11 6.8 ± 4 2ks9A,4mbs_A,2ks9A,2ks9a,1l9ha,3pblA1,4mbs_A,2ks9a,2ks9A,2ks9A
HG0840 Q8NGR4 OR5C1_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_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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