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
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
HG1021 Q9UN24 Q9UN24_HUMAN -0.39 0.66 ± 0.13 7.3 ± 4.2 4mbsA,4mbs_A,4mbsA,4mbs_A,4mbsa,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1
HG1022 Q9NZD1 GPC5D_HUMAN -3.6 0.32 ± 0.11 9.99 ± 3.4 2ks9A,4l6r_A,4j5mA,4mbs_A,4l6rA2,3pblA1,4mbs_A,3wb8A,4ib4A,4mbsA1
HG1023 Q8NG97 OR2Z1_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1024 Q6U736 OPN5_HUMAN 0.79 0.82 ± 0.08 4.9 ± 3.2 2z73A,4mbs_A,2ks9A,2z73a,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2ks9A
HG1025 Q5CZ60 Q5CZ60_HUMAN -1.22 0.56 ± 0.15 9.9 ± 4.6 2ks9A,4mbs_A,2ks9A,2ks9a,1l9ha,1gzmA,4mbs_A,2ks9a,2ks9A,2ks9A
HG1026 Q9H339 O51B5_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,3uon_A,4gpoa,3emlA1,3emlA1
HG1027 Q9H342 O51J1_HUMAN -0.63 0.63 ± 0.13 7.7 ± 4.3 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,1gzmA,4grv_A,4gpoa,3emlA1,3emlA1
HG1028 Q96RI8 TAAR6_HUMAN -0.37 0.67 ± 0.13 7.3 ± 4.2 3sn6R2,4mbs_A,3sn6R2,4ldea,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,3sn6R2
HG1029 Q02643 GHRHR_HUMAN -0.55 0.64 ± 0.13 8.2 ± 4.5 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG1030 Q71U75 Q71U75_HUMAN -0.12 0.7 ± 0.12 6.1 ± 3.8 4djhA1,4mbs_A,4grvA1,2z73a,4jkvA2,2z73A,4mbs_A,4ea3a,3vw7A,4djhA1
HG1031 Q8NGY9 OR2L8_HUMAN -0.17 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1032 P33032 MC5R_HUMAN -0.4 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,4mbs_A,4iaqA1,2ycwa,2rh1A1,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG1033 P49238 CX3C1_HUMAN -0.84 0.61 ± 0.14 8.4 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4mbs_A,4mbsa,4mbsA,4mbsA1
HG1034 Q4VBN4 Q4VBN4_HUMAN -1.37 0.55 ± 0.15 9.6 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG1035 Q8NGT2 O13J1_HUMAN -0.17 0.69 ± 0.12 6.6 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1036 O95136 S1PR2_HUMAN 0.6 0.79 ± 0.09 5.3 ± 3.4 4iaqA1,4mbs_A,2ks9A,2ydoa,2rh1A1,3v2wA1,3v2y_A,3zpqa,3emlA,2ks9A
HG1037 B3TIK8 B3TIK8_HUMAN -0.57 0.64 ± 0.13 7.5 ± 4.3 4k5y_A,4k5y_A,4k5yA,4k5yA,4k5yA2,4k5yA,4k5yA2,4k5yA2,4k5yA2,4k5yA2
HG1038 Q8NHC7 O14CZ_HUMAN 0.32 0.76 ± 0.1 5.6 ± 3.5 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1039 Q711G2 Q711G2_HUMAN -1.74 0.5 ± 0.15 9.99 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG1040 Q96P66 GP101_HUMAN -0.95 0.59 ± 0.14 9.5 ± 4.6 4iaqA,2rh1_A,3uonA,3uona,4ib4A,2rh1A,2rh1_A,3pbla,2rh1A,3uonA
HG1041 Q6NUM3 Q6NUM3_HUMAN -1.8 0.5 ± 0.15 9.99 ± 4.5 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,3uona,3uonA,3uonA
HG1042 P28335 5HT2C_HUMAN -2.13 0.46 ± 0.15 9.99 ± 4.4 4ib4A,2ks9A,4mbs_A,2ks9A,4ib4A,2ks9A,3zpqa,4ib4A,4ib4A,2rh1_A
HG1043 A0N0W6 A0N0W6_HUMAN 0 0.71 ± 0.11 6.4 ± 3.9 4iaqA1,4mbs_A,3emlA1,2ydoa,2rh1A1,4iaqA1,3odu_A,4eiya,3sn6R,3emlA1
HG1044 P59551 T2R60_HUMAN -0.88 0.6 ± 0.14 8.3 ± 4.5 4mbsA1,4mbs_A,4djhA1,2z73a,3rzeA1,1gzmA,2rh1_A,4mbsa,3vw7A,4djhA1
HG1045 B3SXT0 B3SXT0_HUMAN 0.2 0.74 ± 0.11 6.4 ± 3.9 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4l6rA
HG1046 Q9H205 O2AG1_HUMAN 0.1 0.73 ± 0.11 6.1 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG1047 P48546 GIPR_HUMAN -1.19 0.57 ± 0.15 9.9 ± 4.6 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG1048 Q01718 ACTHR_HUMAN 0.06 0.72 ± 0.11 6 ± 3.7 4iaqA1,4mbs_A,4iaqA1,3uzaa,2rh1A1,3sn6R2,3uon_A,3zpqa,3emlA,4iaqA1
HG1049 Q8IXH9 Q8IXH9_HUMAN -1.23 0.56 ± 0.15 9.6 ± 4.6 3sn6R2,4mbs_A,3sn6R2,3zpqa,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,3sn6R2
HG1050 Q8NHB7 OR5K1_HUMAN -0.48 0.65 ± 0.13 7.3 ± 4.2 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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