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
HG0930 Q6ZMP9 Q6ZMP9_HUMAN -0.3 0.67 ± 0.12 7.4 ± 4.3 4mbsA1,4ea3B,4dkl_A,4ea3B,4mbsA1,4ea3B,4mbsa,4ea3B,4mbsA1,4ea3B
HG0931 Q96R69 OR4F4_HUMAN 0.1 0.73 ± 0.11 6 ± 3.7 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0932 Q8NGJ1 OR4D6_HUMAN -0.27 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0933 Q8NGJ6 O51A4_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0934 Q52R93 Q52R93_HUMAN -0.85 0.61 ± 0.14 7.8 ± 4.4 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0935 O14694 O14694_HUMAN -0.41 0.66 ± 0.13 7.3 ± 4.2 4mbsA1,4mbsA,4mbsA1,4mbsA,4mbsA1,4mbsA,4mbsa,4mbsA,4mbsA,4mbsA
HG0936 P59541 T2R30_HUMAN -0.33 0.67 ± 0.13 7 ± 4.1 4djhA1,4mbs_A,4djhA1,2ks9a,3a6pA1,1gzmA,4mbs_A,4ea3a,2ks9A,4djhA1
HG0937 Q86SF3 Q86SF3_HUMAN -0.9 0.6 ± 0.14 8.3 ± 4.5 4iaqA1,4mbs_A,3emlA1,3emla,3emlA1,2vt4A,4grv_A,3sn6r,3emlA1,3emlA1
HG0938 P48145 NPBW1_HUMAN 0.06 0.72 ± 0.11 6.2 ± 3.8 4mbsA1,4mbs_A,4mbsA1,4ea3a,4mbsA1,4ea3B2,4dkl_A,4ea3a,4ea3B,4mbsA1
HG0939 O14718 OPSX_HUMAN 1.06 0.86 ± 0.07 4.3 ± 2.8 2z73A,4mbs_A,2ks9A,2z73a,1l9ha,1gzmA,2rh1_A,1l9ha,2ziyA,2ks9A
HG0940 B2R7M4 B2R7M4_HUMAN 0.03 0.72 ± 0.11 6.5 ± 3.9 3sn6R2,4mbs_A,2ks9A,2ycya,2rh1A1,3sn6R2,2rh1_A,3zpqa,3emlA,3sn6R2
HG0941 P30939 5HT1F_HUMAN 0.23 0.74 ± 0.11 6.1 ± 3.8 4ib4A,4mbs_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0942 Q15077 P2RY6_HUMAN 0.32 0.76 ± 0.1 5.7 ± 3.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0943 Q7LBC9 Q7LBC9_HUMAN -0.69 0.63 ± 0.14 8 ± 4.4 4mbsA1,4mbs_A,4grvA1,1l9ha,3a6pA1,2z73A,4mbs_A,1l9ha,2ks9A,4djhA1
HG0944 P43220 GLP1R_HUMAN -0.64 0.63 ± 0.13 8.6 ± 4.5 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0945 Q8NH79 OR6X1_HUMAN -0.55 0.64 ± 0.13 7.5 ± 4.3 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0946 Q13304 GPR17_HUMAN -2.13 0.46 ± 0.15 9.99 ± 4.5 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0947 P59544 T2R50_HUMAN 0.1 0.73 ± 0.11 6 ± 3.7 4djhA1,4mbs_A,4djhA1,2z73a,4jkvA2,2z73A,4mbs_A,2ks9a,3vw7A,4djhA1
HG0948 Q5UAW9 GP157_HUMAN 0.12 0.73 ± 0.11 6.2 ± 3.8 4k5yA2,4mbs_A,4l6rA,4l6ra,4jkvA2,4l6rA2,2z73_A,4l6ra,4l6rA,4l6rA2
HG0949 Q2YD84 Q2YD84_HUMAN -1.74 0.5 ± 0.15 9.99 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0950 D3DPG9 D3DPG9_HUMAN -2.38 0.44 ± 0.14 9.99 ± 4.2 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA2,4k5y_A,4l6ra,4l6rA,4l6rA
HG0951 Q9UGF7 O12D3_HUMAN 0.08 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0952 Q8NGF8 OR4B1_HUMAN -0.05 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0953 Q8NH57 O52P1_HUMAN -0.43 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0954 Q8NGV6 OR5H6_HUMAN -0.61 0.64 ± 0.13 7.7 ± 4.3 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0955 Q9P296 C5AR2_HUMAN -0.42 0.66 ± 0.13 7.4 ± 4.2 4mbsA1,4mbs_A,2lnlA,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0956 Q8NGG8 OR8B3_HUMAN -0.38 0.66 ± 0.13 7.1 ± 4.2 4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0957 D3DNG8 D3DNG8_HUMAN -1.75 0.5 ± 0.15 9.99 ± 4.6 4mbsA1,4mbs_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4mbs_A,4mbsa,4mbsA,4mbsA1
HG0958 Q9Y4A9 O10H1_HUMAN -0.32 0.67 ± 0.13 7 ± 4.1 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0959 Q9NRB8 Q9NRB8_HUMAN 0.27 0.75 ± 0.1 6 ± 3.7 3sn6R2,4mbs_A,2ks9A,3vg9a,1l9ha,3pblA1,3v2y_A,3zpqa,3emlA,2ks9A
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
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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