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
HG0210 Q6ZMI9 Q6ZMI9_HUMAN -2.31 0.44 ± 0.14 9.99 ± 4.2 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4dlqA2
HG0211 Q8NHC8 OR2T6_HUMAN -0.03 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0212 A6NCV1 O6C74_HUMAN 0.28 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0213 Q8NGS9 O13C2_HUMAN -0.05 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3sn6R2,4grv_A,2ydoa,3emlA1,3emlA1
HG0214 Q8NGC3 O10G2_HUMAN -0.23 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0215 P25103 NK1R_HUMAN -2.22 0.45 ± 0.15 9.99 ± 4.4 4mbsA1,3odu_A,4mbsA1,4ea3a,1l9ha,4djhA1,2rh1_A,4ea3a,4ea3B,4mbsA1
HG0216 Q6FH34 Q6FH34_HUMAN -2.3 0.44 ± 0.14 9.99 ± 4.3 3sn6R,2rh1_A,3sn6R2,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,3sn6R,3sn6R2
HG0217 P47887 OR1E2_HUMAN -0.41 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0218 Q8NGI8 O5AN1_HUMAN 0.11 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0219 A6NFC9 OR2W5_HUMAN -0.33 0.67 ± 0.13 7.1 ± 4.1 3uonA1,3uon_A,3emlA1,3emla,3emlA1,3uonA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0220 Q9UHM6 OPN4_HUMAN -1.83 0.49 ± 0.15 9.99 ± 4.5 2z73A,2z73_A,2ziyA,2z73a,2ziyA,2z73A,2rh1_A,3ayma,2ziyA,2ziyA
HG0221 O95047 OR2A4_HUMAN -0.21 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0222 Q96R54 O14A2_HUMAN 0.3 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0223 Q8NGQ5 OR9Q1_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0224 Q8N0Y3 OR4N4_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0225 Q3L3Q6 Q3L3Q6_HUMAN -1.03 0.58 ± 0.14 8.9 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1,4mbsA
HG0226 Q8NGR2 OR1L6_HUMAN -1.73 0.5 ± 0.15 9.99 ± 4.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0227 Q6IFI8 Q6IFI8_HUMAN 0.23 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0228 Q6IF40 Q6IF40_HUMAN -0.03 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0229 P59537 T2R43_HUMAN -0.54 0.64 ± 0.13 7.4 ± 4.3 4djhA1,3rze_A,4djhA1,1l9ha,3a6pA1,1gzmA,3eml_A,4ea3a,3vw7A,4djhA1
HG0230 Q548M6 Q548M6_HUMAN -0.61 0.64 ± 0.13 8.4 ± 4.5 4iaqA,3uon_A,4iaqA,4iaqa,4ib4A,4ib4A,3uon_A,4iaqa,3uonA,4iaqA
HG0231 Q8NH84 Q8NH84_HUMAN 0.09 0.73 ± 0.11 6.1 ± 3.7 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0232 Q8IXE1 OR4N5_HUMAN -0.17 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0233 P25090 FPR2_HUMAN -0.33 0.67 ± 0.13 7.3 ± 4.2 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,4grv_A,4mbsa,4mbsA,4mbsA1
HG0234 Q9ULW2 FZD10_HUMAN -2.04 0.47 ± 0.15 9.99 ± 4.3 4jkvA,4jkv_A,4jkvA,4jkva,4jkvA,4jkvA,4jkv_A,4jkva,4jkvA,4jkvA
HG0235 Q9UBJ7 Q9UBJ7_HUMAN -0.44 0.66 ± 0.13 7.4 ± 4.3 4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA,4mbsA
HG0236 Q15614 OR8G2_HUMAN -0.03 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0237 Q9NZH0 GPC5B_HUMAN -2.78 0.4 ± 0.13 9.99 ± 4 4jkvA2,2e4u_A,4l8tA,4j5mA,4l6r_A,3wb8A,4l6rA,2e4u_A,4l6r_A,4iu8A
HG0238 Q5VX04 Q5VX04_HUMAN -2.41 0.43 ± 0.14 9.99 ± 4.2 4ib4A,2rh1_A,4iaqA1,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,3sn6R,4iaqA1
HG0239 Q8NG79 Q8NG79_HUMAN 0.36 0.76 ± 0.1 5.5 ± 3.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0240 A6NND4 O2AT4_HUMAN -0.21 0.69 ± 0.12 6.8 ± 4 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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