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
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
HG0841 Q9NSD7 RL3R1_HUMAN -1.77 0.5 ± 0.15 9.99 ± 4.5 4mbsA1,4mbs_A,4mbsA1,2ks9a,4mbsA1,4mbsA1,4mbs_A,4mbsa,4ea3B,4mbsA1
HG0842 Q9NS67 GPR27_HUMAN -0.46 0.65 ± 0.13 7.7 ± 4.3 4ib4A,3uon_A,4ib4A,4iaqa,4ib4A,4iaqA1,3pbl_A,3pbla,4ib4A,4iaqA1
HG0843 P34998 CRFR1_HUMAN -3.88 0.3 ± 0.1 9.99 ± 2.8 4k5y_A,4k5y_A,4k5yA2,4k5yA,4k5yA2,4k5yA2,4k5yA,4k5ya,4k5yA,4k5yA
HG0844 Q8NGF1 O52R1_HUMAN -0.1 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0845 Q9NPB9 ACKR4_HUMAN -1.21 0.56 ± 0.15 9.3 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0846 Q8NHA8 OR1FC_HUMAN -0.35 0.67 ± 0.13 7.2 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0847 Q9BY21 GPR87_HUMAN -0.77 0.62 ± 0.14 8.3 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0848 Q8NGU1 OR9A1_HUMAN -0.25 0.68 ± 0.12 6.4 ± 3.9 4iaqA1,4mbs_A,3emlA1,3emla,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG0849 Q8NH44 Q8NH44_HUMAN 0.14 0.73 ± 0.11 5.9 ± 3.7 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0850 Q7Z5H5 VN1R4_HUMAN -0.49 0.65 ± 0.13 7.3 ± 4.2 4mbsA1,4mbs_A,4grvA1,2z73a,4jkvA2,2z73A,2rh1_A,2ks9a,2ks9A,4grvA1
HG0851 Q68DM8 Q68DM8_HUMAN -0.92 0.6 ± 0.14 8.7 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0852 Q8NGG3 OR5T3_HUMAN -1.57 0.52 ± 0.15 9.99 ± 4.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0853 Q6IF01 Q6IF01_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0854 A4D1U1 A4D1U1_HUMAN -0.19 0.69 ± 0.12 6.6 ± 4 4mbsA1,4mbs_A,4djhA1,3vg9a,4jkvA2,1gzmA,3vw7_A,2ks9a,3vw7A,4djhA1
HG0855 Q9GZQ6 NPFF1_HUMAN -0.64 0.63 ± 0.13 8.4 ± 4.5 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,4mbs_A,2ks9a,2ks9A,2ks9A
HG0856 B9EIM4 B9EIM4_HUMAN -0.17 0.69 ± 0.12 6.6 ± 4 3pblA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0857 Q96RD3 O52E6_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0858 Q6NWR3 Q6NWR3_HUMAN -0.99 0.59 ± 0.14 9.2 ± 4.6 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,4mbs_A,2ks9a,2ks9A,2ks9A
HG0859 Q6LEE7 Q6LEE7_HUMAN 0.4 0.77 ± 0.1 5.7 ± 3.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0860 O95499 O95499_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0861 Q96RG8 Q96RG8_HUMAN -0.28 0.68 ± 0.12 7.8 ± 4.4 4ib4A,3uon_A,3uonA,3uona,4ib4A,3uonA,2rh1_A,3uona,3uonA,3uonA
HG0862 Q6TTN3 Q6TTN3_HUMAN -0.16 0.69 ± 0.12 7 ± 4.1 4mbsA1,4mbs_A,4grvA1,2ks9a,1l9ha,1gzmA,4mbs_A,4ea3a,2ks9A,2ks9A
HG0863 Q9UGF5 O14J1_HUMAN 0.17 0.74 ± 0.11 6 ± 3.7 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0864 Q4VBN6 Q4VBN6_HUMAN 0.5 0.78 ± 0.1 5.6 ± 3.5 4mbsA1,4ea3B,4mbs_A,4ea3B,4mbsA1,4ea3B,4mbsa,4mbsA1,4mbsA1,3vw7_A
HG0865 Q8NGX6 O10R2_HUMAN -0.93 0.6 ± 0.14 8.5 ± 4.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0866 P47890 OR1G1_HUMAN 0.03 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0867 Q9H2C8 O51V1_HUMAN -0.75 0.62 ± 0.14 8 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0868 Q5JQS5 OR2BB_HUMAN -0.14 0.7 ± 0.12 6.6 ± 4 3uonA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0869 Q6NWM5 Q6NWM5_HUMAN 0.48 0.78 ± 0.1 5.5 ± 3.5 4iaqA1,4mbs_A,4iaqA1,2z73a,2rh1A1,3sn6R2,3uon_A,3zpqa,3sn6R,4iaqA1
HG0870 Q8NH81 O10G6_HUMAN -0.89 0.6 ± 0.14 8.4 ± 4.5 4iaqA1,4mbs_A,3emlA1,1l9ha,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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