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
HG0030 Q5CZ62 Q5CZ62_HUMAN -0.28 0.68 ± 0.12 7.6 ± 4.3 2ks9A,2rh1_A,2ks9A,2ks9a,1l9ha,1gzmA,4grv_A,2ks9a,2ks9A,2ks9A
HG0031 P21462 FPR1_HUMAN -0.37 0.67 ± 0.13 7.3 ± 4.2 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,4mbsA,4mbsA1
HG0032 P0C628 O5AC1_HUMAN -0.3 0.67 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0033 Q8N127 O5AS1_HUMAN 0.08 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0034 Q9NYV7 T2R16_HUMAN -0.43 0.66 ± 0.13 7.1 ± 4.1 4djhA1,3odu_A,4djhA1,2ks9a,4jkvA2,1gzmA,2rh1_A,2ks9a,3vw7A,4djhA1
HG0035 P46093 GPR4_HUMAN -0.63 0.63 ± 0.13 8 ± 4.4 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0036 P18825 ADA2C_HUMAN -1.64 0.52 ± 0.15 9.99 ± 4.6 4ib4A,2rh1_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0037 B9EIS6 B9EIS6_HUMAN -0.32 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0038 P46663 BKRB1_HUMAN -0.34 0.67 ± 0.13 7.3 ± 4.2 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0039 Q8NH74 O10A6_HUMAN -0.12 0.7 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0040 O60755 GALR3_HUMAN 0.17 0.74 ± 0.11 6.3 ± 3.8 2ks9A,4dkl_A,2ks9A,2ks9a,4mbsA,4ea3B2,4dkl_A,4ea3a,2ks9A,2ks9A
HG0041 P0C623 OR4Q2_HUMAN -0.22 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3rzeA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0042 Q8NH09 OR8S1_HUMAN -0.59 0.64 ± 0.13 7.9 ± 4.4 4iaqA1,2rh1_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0043 Q8NH01 O2T11_HUMAN 0.41 0.77 ± 0.1 5.4 ± 3.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0044 Q9H2C5 O52A5_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3rzeA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0045 Q96R48 OR2A5_HUMAN -0.26 0.68 ± 0.12 6.8 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0046 Q13467 FZD5_HUMAN -1.96 0.48 ± 0.15 9.99 ± 4.3 4jkvA,4jkv_A,4jkvA,4jkva,4jkvA,4jkvA,4jkv_A,4jkva,4jkvA,4jkvA
HG0047 Q8NG94 O11H1_HUMAN -0.54 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0048 P34995 PE2R1_HUMAN -0.41 0.66 ± 0.13 7.7 ± 4.3 4mbsA,2rh1_A,2ks9A,2ycya,1l9ha,2z73A,2rh1_A,3zpqa,2ks9A,2ks9A
HG0049 Q7RTR8 T2R42_HUMAN -0.2 0.69 ± 0.12 6.7 ± 4 4mbsA1,3rze_A,4djhA1,1l9ha,3rzeA1,1gzmA,3uon_A,2ks9a,3vw7A,4djhA1
HG0050 Q6IFL7 Q6IFL7_HUMAN -0.79 0.61 ± 0.14 8.1 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0051 Q8NH36 Q8NH36_HUMAN -0.64 0.63 ± 0.13 7.8 ± 4.4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0052 Q6ZMH4 Q6ZMH4_HUMAN -2.77 0.4 ± 0.13 9.99 ± 3.7 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA2
HG0053 O14626 GP171_HUMAN 0.26 0.75 ± 0.1 5.8 ± 3.6 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0054 Q7Z7I1 Q7Z7I1_HUMAN -2.04 0.47 ± 0.15 9.99 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0055 Q9H1C0 LPAR5_HUMAN -0.91 0.6 ± 0.14 8.7 ± 4.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0056 O43789 O43789_HUMAN 0.25 0.75 ± 0.11 5.4 ± 3.4 3uonA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0057 Q8NH63 O51H1_HUMAN -0.4 0.66 ± 0.13 7.1 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3sn6R2,4grv_A,4gpoa,3emlA1,3emlA1
HG0058 Q96P65 QRFPR_HUMAN -0.53 0.65 ± 0.13 8.2 ± 4.5 2ks9A,2ks9A,4grv_A,2ks9a,2ks9A,2ks9A,3odu_A,2ks9a,2ks9A,2ks9A
HG0059 P08908 5HT1A_HUMAN -1.05 0.58 ± 0.14 9.3 ± 4.6 4ib4A,2rh1_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0060 Q8IVW0 Q8IVW0_HUMAN -1.53 0.53 ± 0.15 9.99 ± 4.6 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,3uona,3uonA,3uonA


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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