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.
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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
HG0960 Q8NGZ5 OR2G2_HUMAN -0.27 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0961 B2KIU2 B2KIU2_HUMAN -0.99 0.59 ± 0.14 8.8 ± 4.6 4mbsA,4mbs_A,4mbsA,4mbs_A,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1
HG0962 P34981 TRFR_HUMAN -0.21 0.69 ± 0.12 7.3 ± 4.2 2ks9A,4mbs_A,2ks9A,2ycya,2ks9A,2vt4A,2rh1_A,3zpqa,2ks9A,2ks9A
HG0963 A4D1U0 A4D1U0_HUMAN -0.04 0.71 ± 0.12 6.3 ± 3.8 4mbsA1,4mbs_A,4djhA1,2ks9a,3rzeA1,2z73A,4grv_A,2ks9a,3vw7A,3uonA1
HG0964 Q86SF4 Q86SF4_HUMAN -0.41 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0965 D2CGC9 D2CGC9_HUMAN -0.83 0.61 ± 0.14 8.2 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0966 Q8NH10 OR8U1_HUMAN 0.03 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0967 Q9NYM4 GPR83_HUMAN -1.23 0.56 ± 0.15 9.8 ± 4.6 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,4mbs_A,2ks9a,2ks9A,2ks9A
HG0968 P50406 5HT6R_HUMAN -2.47 0.43 ± 0.14 9.99 ± 4.2 3sn6R,4mbs_A,3sn6R2,3zpqa,4ib4A,4iaqA,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0969 O43869 OR2T1_HUMAN -1.91 0.49 ± 0.15 9.99 ± 4.6 4ldea,4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1
HG0970 Q8NGE3 O10P1_HUMAN -0.14 0.7 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0971 Q86UG9 Q86UG9_HUMAN -1.24 0.56 ± 0.15 9.1 ± 4.6 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0972 Q96RD1 OR6C1_HUMAN 0.22 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0973 Q8NG78 OR8G5_HUMAN -0.26 0.68 ± 0.12 6.8 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0974 Q8WY00 Q8WY00_HUMAN -1.7 0.51 ± 0.15 9.99 ± 4.6 4iaqA1,4mbs_A,3uonA,3zpqa,4iaqA,4iaqA,3uon_A,3zpqa,3uonA,3sn6R2
HG0975 Q8NGG5 OR8K1_HUMAN -0.36 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0976 Q13639 5HT4R_HUMAN -1.09 0.58 ± 0.14 9.2 ± 4.6 3sn6R2,4mbs_A,3sn6R2,3zpqa,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0977 Q8NGC5 OR6J1_HUMAN -0.6 0.64 ± 0.13 7.8 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0978 Q8NGP0 OR4CD_HUMAN -0.35 0.67 ± 0.13 7 ± 4.1 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0979 Q9UQS0 Q9UQS0_HUMAN 1.31 0.89 ± 0.06 3.5 ± 2.4 2z73A,4mbs_A,2ks9A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,3pblA1
HG0980 Q6UR93 Q6UR93_HUMAN -0.49 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,4mbs_A,4iaqA1,3vg9a,2rh1A1,4iaqA1,2rh1_A,3qaka,3sn6R,4iaqA1
HG0981 Q8NGT7 O2A12_HUMAN -0.16 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0982 Q9GZQ4 NMUR2_HUMAN -0.31 0.67 ± 0.12 7.6 ± 4.3 2ks9A,2ks9A,4mbs_A,2ks9a,2ks9A,2ks9a,4grvA1,2ks9A,4grv_A,2ks9A
HG0983 B0M0K0 B0M0K0_HUMAN -1.21 0.56 ± 0.15 9.3 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3vw7_A,4ea3a,3vw7A,4mbsA1
HG0984 Q8NGZ6 OR6F1_HUMAN -0.16 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0985 P21452 NK2R_HUMAN 0.2 0.74 ± 0.11 6.4 ± 3.9 2ks9A,4mbs_A,2ks9A,2ks9a,2ks9A,2ks9A,2ks9_A,2ks9a,2ks9A,2ks9A
HG0986 Q86SM8 MRGRE_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4mbsA1,4mbs_A,4ea3B,4mbsa,4mbsA1,4djhA1,2rh1_A,4ea3a,4ea3B,4djhA1
HG0987 P58173 OR2B6_HUMAN -0.14 0.7 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0988 Q5JRS4 O10J3_HUMAN -0.99 0.59 ± 0.14 8.6 ± 4.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0989 Q8NH76 O56B4_HUMAN -0.47 0.65 ± 0.13 7.4 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3rzeA1,4grv_A,4gpoa,3emlA1,3emlA1
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


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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