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
HG0510 Q5ZGX3 Q5ZGX3_HUMAN -0.96 0.59 ± 0.14 9.1 ± 4.6 4ib4A,2rh1_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0511 Q8NH41 OR4KF_HUMAN -0.82 0.61 ± 0.14 8.3 ± 4.5 4iaqA1,2rh1_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0512 Q8NH11 Q8NH11_HUMAN 0.33 0.76 ± 0.1 5.3 ± 3.4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3rzeA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0513 Q6NWR9 Q6NWR9_HUMAN -1.29 0.55 ± 0.15 9.9 ± 4.6 4iaqA1,2rh1_A,2ks9A,2ks9a,2rh1A1,3uonA1,2rh1_A,3zpqa,2ks9A,2ks9A
HG0514 P08588 ADRB1_HUMAN -2.37 0.44 ± 0.14 9.99 ± 4.2 4iaqA,2rh1_A,3sn6R,3zpqa,4ib4A,4iaqA,2rh1_A,3zpqa,2rh1A,3sn6R2
HG0515 Q8NH04 O2T27_HUMAN -0.07 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0516 Q6NWR0 Q6NWR0_HUMAN -0.57 0.64 ± 0.13 7.7 ± 4.3 4mbsA1,3vw7_A,2lnlA,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG0517 Q9BYT4 Q9BYT4_HUMAN 1.18 0.88 ± 0.07 3.6 ± 2.5 4mbsA1,3odu_A,4mbsA1,2ks9a,3rzeA1,4grvA1,3odu_A,4ea3a,4grvA,3pblA1
HG0518 Q9H228 S1PR5_HUMAN -0.41 0.66 ± 0.13 7.7 ± 4.3 2ks9A,2ks9A,3v2y_A,2ks9A,3uzaa,2ks9A,3pblA1,2ks9A,3v2y_A,2ks9a
HG0519 Q8NGN6 O10G7_HUMAN 0.23 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0520 Q9NZP0 OR6C3_HUMAN 0.19 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0521 Q86SM5 MRGRG_HUMAN -0.09 0.7 ± 0.12 6.3 ± 3.9 4mbsA1,3vw7_A,4ea3B2,4mbsa,4grvA1,4mbsA1,2rh1_A,4mbsa,4ea3B,4ea3B2
HG0522 Q8NGC0 O5AU1_HUMAN -2.36 0.44 ± 0.14 9.99 ± 4.4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0523 Q6IFE0 Q6IFE0_HUMAN 0.19 0.74 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,2rh1_A,2ydoa,3emlA1,3emlA1
HG0524 B2RNI9 B2RNI9_HUMAN -0.45 0.66 ± 0.13 7.4 ± 4.2 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0525 Q86UG8 Q86UG8_HUMAN -0.41 0.66 ± 0.13 7.2 ± 4.2 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0526 Q8NGX0 O11L1_HUMAN -0.17 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0527 Q96RJ0 TAAR1_HUMAN -0.03 0.71 ± 0.12 6.5 ± 3.9 3sn6R2,3uon_A,3sn6R2,3zpqa,4iaqA1,4iaqA1,3uon_A,3zpqa,3sn6R,3sn6R2
HG0528 Q9BXA5 SUCR1_HUMAN 0.27 0.75 ± 0.1 5.8 ± 3.7 4mbsA1,4dkl_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0529 Q8NGA5 O10H4_HUMAN -0.31 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0530 Q8WZ92 OR5P2_HUMAN -0.02 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,3eml_A,2ydoa,3emlA1,3emlA1
HG0531 P04201 MAS_HUMAN -0.52 0.65 ± 0.13 7.5 ± 4.3 4mbsA1,2rh1_A,4mbsA1,4mbsa,4mbsA1,4djhA1,2rh1_A,4mbsa,3vw7A,4mbsA1
HG0532 Q6IFN5 O7E24_HUMAN -1.24 0.56 ± 0.15 9.3 ± 4.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0533 Q9H3N8 HRH4_HUMAN -0.25 0.68 ± 0.12 7.3 ± 4.2 4ib4A,3uon_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0534 P34972 CNR2_HUMAN 0.81 0.82 ± 0.08 4.9 ± 3.2 4iaqA1,3vw7_A,2ks9A,3vg9a,3sn6R2,3rzeA1,4grv_A,3zpqa,3emlA,2ks9A
HG0535 P35414 APJ_HUMAN 0.28 0.75 ± 0.1 6.1 ± 3.8 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,4mbsA,4mbsA1
HG0536 Q8NGC7 O11H6_HUMAN -0.67 0.63 ± 0.14 7.9 ± 4.4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0537 Q8NGU2 OR9A4_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0538 Q16581 C3AR_HUMAN -2.35 0.44 ± 0.14 9.99 ± 4.2 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,4ea3B,4mbsA1
HG0539 P28566 5HT1E_HUMAN -0.04 0.71 ± 0.12 6.7 ± 4 4ib4A,3uon_A,4iaqA,3zpqa,4ib4A,4ib4A,3uon_A,4iaqa,2rh1A,4iaqA
HG0540 Q96KK4 O10C1_HUMAN -0.24 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_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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