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-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
HG0120 B3SXS7 B3SXS7_HUMAN 0.95 0.84 ± 0.08 4.7 ± 3.1 4k5yA2,4l6rA,4k5y_A,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4l6rA
HG0121 Q6IFM2 Q6IFM2_HUMAN -1.07 0.58 ± 0.14 8.8 ± 4.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0122 Q8NGA4 GPC39_HUMAN 0.02 0.72 ± 0.11 5.9 ± 3.7 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0123 Q96RC9 OR8B4_HUMAN -0.03 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0124 P28221 5HT1D_HUMAN -0.37 0.67 ± 0.13 7.5 ± 4.3 4ib4A,4iar_A,4iaqA,3zpqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0125 Q8NH16 OR2L2_HUMAN -0.04 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0126 Q96RI0 PAR4_HUMAN -1.98 0.48 ± 0.15 9.99 ± 4.5 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0127 Q8NH61 O51F2_HUMAN -1.11 0.58 ± 0.14 9 ± 4.6 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0128 Q8WZ94 OR5P3_HUMAN 0.07 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0129 A8K2H7 A8K2H7_HUMAN -2.42 0.43 ± 0.14 9.99 ± 4.1 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,4ea3B,4mbsA1
HG0130 Q96P68 OXGR1_HUMAN -0.27 0.68 ± 0.12 7 ± 4.1 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0131 Q5EKM8 Q5EKM8_HUMAN -1.26 0.56 ± 0.15 9.4 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1
HG0132 A0N0W8 A0N0W8_HUMAN -0.14 0.69 ± 0.12 6.3 ± 3.9 4iaqA1,2rh1_A,4iaqA1,4ldea,4iaqA1,4iaqA1,2rh1_A,4ldea,3sn6R,3sn6R2
HG0133 P32245 MC4R_HUMAN 0.31 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,4grv_A,4iaqA1,3vg9a,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,3emlA1
HG0134 Q4VBL0 Q4VBL0_HUMAN 0.37 0.76 ± 0.1 6 ± 3.7 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,4ea3B2,2rh1_A,2ks9a,2ks9A,2ks9A
HG0135 Q8NGE0 O10AD_HUMAN -0.08 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0136 Q86YG3 Q86YG3_HUMAN -2.77 0.4 ± 0.13 9.99 ± 3.9 2e4vB,4l6rA,2e4u_A,2vt4a,4jkvA,2ks9a,2e4uA,4l6rA2,2e4u_A,4l6rA
HG0137 Q8NGU4 OR2I1_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0138 C6KYL4 C6KYL4_HUMAN -0.24 0.68 ± 0.12 6.9 ± 4.1 4mbsA1,2rh1_A,4djhA1,4ea3a,4mbsA1,4djhA1,3vw7_A,4ea3a,3vw7A,4djhA1
HG0139 Q6IF78 Q6IF78_HUMAN 0.35 0.76 ± 0.1 5.5 ± 3.5 4iaqA1,4dkl_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0140 Q8NH19 O10AG_HUMAN 0.57 0.79 ± 0.09 5 ± 3.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0141 Q8NGN8 OR4A4_HUMAN 0.17 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0142 Q9NYV8 T2R14_HUMAN -0.03 0.71 ± 0.12 6.4 ± 3.9 4djhA1,3rze_A,4djhA1,2ziya,3rzeA1,2z73A,2rh1_A,1l9ha,3vw7A,3uonA1
HG0143 P47898 5HT5A_HUMAN 0.45 0.77 ± 0.1 5.6 ± 3.5 4iaqA1,2rh1_A,3sn6R2,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0144 Q6IFA1 Q6IFA1_HUMAN -0.27 0.68 ± 0.12 7 ± 4.1 3pblA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0145 Q8NGN1 OR6T1_HUMAN -0.07 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0146 A6NDH6 O5H15_HUMAN -0.04 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0147 P25106 ACKR3_HUMAN -0.84 0.61 ± 0.14 8.5 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0148 Q8TDT9 Q8TDT9_HUMAN 1.61 0.94 ± 0.05 3 ± 2.1 4jkvA2,4jkv_A,4jkvA2,4jkva,4jkvA2,4jkvA2,4jkv_A,4jkva,4jkvA,4jkvA2
HG0149 A5JUU5 A5JUU5_HUMAN -0.18 0.69 ± 0.12 7 ± 4.1 2ks9A,3odu_A,2ks9A,2ks9a,2ks9A,2ks9A,3vw7_A,2ks9a,2ks9A,2ks9A
HG0150 Q15617 OR8G1_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_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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