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
HG0001 Q92847 GHSR_HUMAN 0.23 0.74 ± 0.11 6.10 ± 3.80 4mbsA1,2rh1_A,2ks9A,2ks9a,1l9ha,4ea3B2,2rh1_A,4ea3a,2ks9A,2ks9A
HG0002 B9EIL6 B9EIL6_HUMAN -0.12 0.70 ± 0.12 6.50 ± 3.90 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0003 Q8WZA6 OR1E3_HUMAN -0.73 0.62 ± 0.14 8.10 ± 4.40 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0004 P30872 SSR1_HUMAN -0.23 0.68 ± 0.12 7.30 ± 4.20 4mbsA1,2rh1_A,2ks9A,2ks9a,4mbsA1,4djhA1,2rh1_A,4ea3a,4djhA,2ks9A
HG0005 Q6IFB0 Q6IFB0_HUMAN -1.00 0.59 ± 0.14 8.80 ± 4.60 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0006 Q8NGC2 OR4E2_HUMAN -0.39 0.66 ± 0.13 7.10 ± 4.20 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0007 Q96R27 OR2M4_HUMAN 0.05 0.72 ± 0.11 6.20 ± 3.80 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0008 Q17RS1 Q17RS1_HUMAN 0.08 0.72 ± 0.11 6.10 ± 3.80 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0009 Q9H340 O51B6_HUMAN -0.08 0.70 ± 0.12 6.40 ± 3.90 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,3uon_A,4gpoa,3emlA1,3emlA1
HG0010 A0N0Q0 A0N0Q0_HUMAN -2.06 0.47 ± 0.15 9.99 ± 4.50 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0011 Q6IFD1 Q6IFD1_HUMAN 0.74 0.81 ± 0.09 4.50 ± 3.00 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0012 Q8NGE5 O10A7_HUMAN -0.18 0.69 ± 0.12 6.70 ± 4.00 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0013 O00421 CCRL2_HUMAN -0.52 0.65 ± 0.13 7.60 ± 4.30 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0014 Q86UK4 Q86UK4_HUMAN -0.50 0.65 ± 0.13 7.50 ± 4.30 4mbsA1,3vw7_A,4djhA1,2z73a,3a6pA1,2z73A,3vw7_A,1l9ha,3vw7A,4djhA1
HG0015 Q8NHA4 O2AE1_HUMAN 0.23 0.74 ± 0.11 5.90 ± 3.70 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3rzeA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0016 Q9H345 Q9H345_HUMAN -0.19 0.69 ± 0.12 6.60 ± 4.00 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,4gpoa,3emlA1,3emlA1
HG0017 Q6UR95 Q6UR95_HUMAN -0.24 0.68 ± 0.12 6.80 ± 4.10 4iaqA1,3odu_A,3emlA1,2ydoa,2rh1A1,3sn6R2,2rh1_A,4eiya,3sn6R,3emlA1
HG0018 Q5T6D8 Q5T6D8_HUMAN -0.63 0.63 ± 0.13 8.40 ± 4.50 2ks9A,4grv_A,2ks9A,2ks9a,2ks9A,2ks9A,4grv_A,2ks9a,2ks9A,2ks9A
HG0019 Q9BXE9 VN1R3_HUMAN -0.49 0.65 ± 0.13 7.30 ± 4.20 4mbsA1,3odu_A,4grvA1,2z73a,1xm9A,2z73A,2rh1_A,2ks9a,2ks9A,4djhA1
HG0020 Q8NGX1 O2T34_HUMAN -0.09 0.70 ± 0.12 6.50 ± 3.90 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0021 Q8NH68 Q8NH68_HUMAN -0.23 0.68 ± 0.12 6.80 ± 4.00 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0022 Q9Y5X5 NPFF2_HUMAN -1.94 0.48 ± 0.15 9.99 ± 4.40 2ks9A,4ea3B,4mbs_A,4ea3B,2ks9A,4ldea,2ks9a,4ea3B,2ks9A,4ea3B
HG0023 Q6IFR1 Q6IFR1_HUMAN -0.53 0.65 ± 0.13 7.50 ± 4.30 4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0024 Q8NGK1 O51G1_HUMAN -0.19 0.69 ± 0.12 6.70 ± 4.00 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,3uon_A,4gpoa,3emlA1,3emlA1
HG0025 Q8NGJ0 OR5A1_HUMAN 0.11 0.73 ± 0.11 6.10 ± 3.70 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0026 P47884 OR1D4_HUMAN 0.05 0.72 ± 0.11 6.20 ± 3.80 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0027 Q96RI9 TAAR9_HUMAN -0.11 0.70 ± 0.12 6.70 ± 4.00 3sn6R2,2rh1_A,3sn6R2,4ldea,4iaqA1,4iaqA1,2rh1_A,3zpqa,3sn6R,2rh1A1
HG0028 P29371 NK3R_HUMAN -2.05 0.47 ± 0.15 9.99 ± 4.40 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,2ks9_A,2ks9a,2ks9A,2ks9A
HG0029 P08173 ACM4_HUMAN -0.25 0.68 ± 0.12 7.80 ± 4.40 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,3uona,3uonA,3uonA
HG0030 Q5CZ62 Q5CZ62_HUMAN -0.28 0.68 ± 0.12 7.60 ± 4.30 2ks9A,2rh1_A,2ks9A,2ks9a,1l9ha,1gzmA,4grv_A,2ks9a,2ks9A,2ks9A


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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