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
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
HG0541 Q15743 OGR1_HUMAN -1.35 0.55 ± 0.15 9.7 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0542 Q14332 FZD2_HUMAN -1.81 0.5 ± 0.15 9.99 ± 4.4 4jkvA,4jkv_A,4jkvA,4jkva,4jkvA,4jkvA,4jkv_A,4jkva,4jkvA,4jkvA
HG0543 P32247 BRS3_HUMAN 0.05 0.72 ± 0.11 6.7 ± 4 2ks9A,2rh1_A,2ks9A,2ks9a,2ks9A,4ea3B2,4grv_A,2ks9a,2ks9A,2ks9A
HG0544 Q8NGX5 O10K1_HUMAN -0.23 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0545 Q8NG85 OR2L3_HUMAN -0.03 0.71 ± 0.12 6.3 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0546 Q96R28 OR2M2_HUMAN -0.71 0.62 ± 0.14 8.1 ± 4.4 4iaqA1,3uon_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0547 Q9H209 O10A4_HUMAN 0.03 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0548 P50391 NPY4R_HUMAN 0.39 0.77 ± 0.1 5.8 ± 3.6 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,2rh1_A,2ks9a,2ks9A,2ks9A
HG0549 B9EIN4 B9EIN4_HUMAN 0.23 0.74 ± 0.11 5.8 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0550 Q8NGK4 O52K1_HUMAN -0.14 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0551 Q9BXC0 HCAR1_HUMAN -0.62 0.63 ± 0.13 7.9 ± 4.4 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0552 P32302 CXCR5_HUMAN -1.8 0.5 ± 0.15 9.99 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0553 Q9NYW3 TA2R7_HUMAN -0.32 0.67 ± 0.13 7 ± 4.1 4djhA1,3vw7_A,4djhA1,2z73a,3rzeA1,2z73A,3eml_A,4ea3a,3vw7A,4djhA1
HG0554 B9EH20 B9EH20_HUMAN -0.55 0.64 ± 0.13 7.5 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0555 P55085 PAR2_HUMAN -1.37 0.55 ± 0.15 9.9 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,3vw7A1,3vw7_A,4mbsa,3vw7A,4mbsA1
HG0556 Q8NGT5 OR9A2_HUMAN -0.16 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0557 Q9UNW8 GP132_HUMAN -1.72 0.51 ± 0.15 9.99 ± 4.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0558 Q96LD9 Q96LD9_HUMAN -0.15 0.69 ± 0.12 7.1 ± 4.2 4ib4A,3uon_A,4iaqA,4iaqa,4ib4A,4ib4A,2rh1_A,4iaqa,4ib4A,4iaqA
HG0559 Q9BX81 Q9BX81_HUMAN -1.1 0.58 ± 0.14 9 ± 4.6 4mbsA1,3odu_A,4grvA1,1l9ha,3a6pA1,2z73A,2rh1_A,1l9ha,2ks9A,4djhA1
HG0560 Q8NGK9 OR5DG_HUMAN -0.25 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0561 Q8NGF6 O10W1_HUMAN 0.49 0.78 ± 0.1 5.2 ± 3.3 4iaqA1,3vw7_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0562 P61073 CXCR4_HUMAN -0.48 0.65 ± 0.13 7.6 ± 4.3 3odua,3oduA,3odua,3oduA,3oduA,3oduA,3oduA,3odu_A,3odu_A,3oduA
HG0563 Q96LB0 MRGX3_HUMAN -0.41 0.66 ± 0.13 7.2 ± 4.2 4mbsA1,3eml_A,4mbsA1,4mbsa,4mbsA1,2lnlA,4grv_A,4ea3a,4ea3B,4mbsA1
HG0564 Q8NGJ8 O51S1_HUMAN -0.42 0.66 ± 0.13 7.3 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0565 Q8N162 OR8H2_HUMAN -0.14 0.69 ± 0.12 6.6 ± 4 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0566 Q8TDV0 GP151_HUMAN -1.39 0.54 ± 0.15 9.99 ± 4.6 2rh1_A,2ks9A,2ks9A,2ks9a,2ks9A,4ea3B2,2rh1_A,2ks9a,2ks9A,2ks9A
HG0567 Q6IEV9 OR4CB_HUMAN -0.15 0.69 ± 0.12 6.6 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0568 A6NET4 OR5K3_HUMAN -0.22 0.69 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0569 Q8NGS6 O13C3_HUMAN -1.06 0.58 ± 0.14 8.9 ± 4.6 4iaqA1,4grv_A,3emlA1,2ydoa,3emlA1,1gzmA,4grv_A,2ydoa,3emlA1,3emlA1
HG0570 Q6UR98 Q6UR98_HUMAN -0.03 0.71 ± 0.12 6.4 ± 3.9 4iaqA1,3odu_A,3emlA1,3zpqa,2rh1A1,4iaqA1,2rh1_A,4eiya,3sn6R,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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