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
HG0990 B5B0C2 B5B0C2_HUMAN 0.39 0.77 ± 0.1 5.6 ± 3.5 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0991 Q38L21 Q38L21_HUMAN -1.26 0.56 ± 0.15 9.4 ± 4.6 4mbsA,4mbs_A,4mbsA,4mbs_A,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1
HG0992 B9EIN5 B9EIN5_HUMAN -0.23 0.68 ± 0.12 6.8 ± 4 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0993 Q9P1Q5 OR1A1_HUMAN 0.1 0.73 ± 0.11 6 ± 3.7 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0994 O43749 OR1F1_HUMAN -0.13 0.7 ± 0.12 6.5 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0995 P49682 CXCR3_HUMAN -1.21 0.56 ± 0.15 9.4 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0996 O95977 S1PR4_HUMAN 0.02 0.72 ± 0.11 6.7 ± 4 2ks9A,4mbs_A,2ks9A,2ks9a,1l9ha,3pblA1,3v2y_A,2ks9a,2ks9A,2ks9A
HG0997 Q3SAH0 Q3SAH0_HUMAN 0.16 0.73 ± 0.11 6.1 ± 3.8 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0998 Q6UR96 Q6UR96_HUMAN -0.74 0.62 ± 0.14 7.9 ± 4.4 4iaqA1,4mbs_A,3emlA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3sn6R,3emlA1
HG0999 Q8NGK6 O52I1_HUMAN -0.32 0.67 ± 0.13 7.1 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG1000 Q9NYW7 TA2R1_HUMAN -0.18 0.69 ± 0.12 6.6 ± 4 4djhA1,4mbs_A,4djhA1,2z73a,3rzeA1,2z73A,3rze_A,2ks9a,3vw7A,3uonA1
HG1001 Q8NH42 OR4KD_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1002 P28222 5HT1B_HUMAN -1.64 0.51 ± 0.15 9.99 ± 4.6 4iar_A,4iar_A,4iaqA,4iaqA,4iaqA,4iaqA,4iaqa,4iaqA1,4iaqA1,4iaqA
HG1003 Q0IIN4 Q0IIN4_HUMAN -2.15 0.46 ± 0.15 9.99 ± 4.4 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,2ks9_A,2ks9a,2ks9A,2ks9A
HG1004 Q8NGL1 OR5DI_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1005 Q9Y5Y4 PD2R2_HUMAN -0.29 0.68 ± 0.12 7.4 ± 4.3 4mbsA1,2ks9A,4mbs_A,2ks9A,4mbsA1,2ks9A,4ea3a,2ks9a,4mbsA1,2ks9a
HG1006 O60404 O10H3_HUMAN -0.22 0.68 ± 0.12 6.8 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1007 Q15615 OR4D1_HUMAN -0.16 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1008 B9EGY8 B9EGY8_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1009 Q8NGQ4 O10Q1_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1010 O60403 O10H2_HUMAN -0.29 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1011 Q0IJ71 Q0IJ71_HUMAN 0.79 0.82 ± 0.08 4.6 ± 3 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG1012 Q9BZJ6 GPR63_HUMAN -1.74 0.5 ± 0.15 9.99 ± 4.6 4iaqA1,4mbs_A,2ks9A,2ks9a,2rh1A1,3uonA1,4grv_A,3zpqa,2ks9A,2ks9A
HG1013 Q8NH67 O52I2_HUMAN -1.58 0.52 ± 0.15 9.99 ± 4.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG1014 Q8NGT0 O13C9_HUMAN -0.06 0.71 ± 0.12 6.5 ± 3.9 3pblA1,4mbs_A,3emlA1,2ydoa,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG1015 Q8NGY2 OR6K2_HUMAN -0.37 0.67 ± 0.13 7.2 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG1016 Q8NGP6 OR5M8_HUMAN 0.07 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1017 P04001 OPSG_HUMAN 0.03 0.72 ± 0.11 6.5 ± 4 2z73A,1u19_A,2ks9A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,2ks9A
HG1018 P47893 OR3A2_HUMAN -0.86 0.61 ± 0.14 8.2 ± 4.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1019 Q8NG76 O2T33_HUMAN 0.07 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1020 Q8NGJ3 O52E1_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,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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