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
HG0330 Q8NH51 OR8K3_HUMAN 0.02 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0331 Q8NGI3 O56B1_HUMAN -0.57 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0332 P08912 ACM5_HUMAN -1.93 0.48 ± 0.15 9.99 ± 4.4 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,3uona,3uonA,3uonA
HG0333 O95007 OR6B1_HUMAN -0.22 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0334 Q8NGI2 O52N4_HUMAN -0.37 0.67 ± 0.13 7.1 ± 4.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0335 Q8NGZ4 OR2G3_HUMAN 0.32 0.76 ± 0.1 5.6 ± 3.5 3pblA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0336 Q8NGH7 O52L1_HUMAN -0.95 0.59 ± 0.14 8.5 ± 4.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,2rh1_A,4gpoa,3emlA1,3emlA1
HG0337 Q8NGN3 O10G4_HUMAN -0.09 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0338 P58182 O12D2_HUMAN 0.13 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0339 B2RU31 B2RU31_HUMAN 0.39 0.76 ± 0.1 5.8 ± 3.6 1u19A,1u19_A,2g87A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,2g87A
HG0340 P32248 CCR7_HUMAN -2.03 0.47 ± 0.15 9.99 ± 4.5 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0341 P11229 ACM1_HUMAN -0.59 0.64 ± 0.13 8.5 ± 4.5 3uonA,3uon_A,3uonA,3uona,4ib4A,3uonA,3uon_A,4iaqa,3uonA,3uonA
HG0342 A6NGY5 O51F1_HUMAN -0.3 0.67 ± 0.12 7 ± 4.1 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,3uonA1,4grv_A,4gpoa,3emlA1,3emlA1
HG0343 B9EIN8 B9EIN8_HUMAN -0.26 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0344 A8CAH9 A8CAH9_HUMAN 0.11 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0345 Q8NH07 O11H2_HUMAN -0.56 0.64 ± 0.13 7.6 ± 4.3 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0346 B9EKW0 B9EKW0_HUMAN 0.04 0.72 ± 0.11 6.2 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0347 B2KKJ9 B2KKJ9_HUMAN -0.97 0.59 ± 0.14 8.7 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1
HG0348 P30559 OXYR_HUMAN -0.53 0.65 ± 0.13 7.9 ± 4.4 4mbsA,4grv_A,4iaqA1,2ycya,1l9ha,3pblA1,2rh1_A,1l9ha,4ea3B,4iaqA1
HG0349 Q8NH72 OR4C6_HUMAN 0.11 0.73 ± 0.11 6 ± 3.7 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0350 Q8NHC6 O14L1_HUMAN 0.4 0.77 ± 0.1 5.4 ± 3.4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0351 O95013 O4F21_HUMAN -0.18 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0352 Q6IFM9 Q6IFM9_HUMAN -0.9 0.6 ± 0.14 8.5 ± 4.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0353 A1L485 A1L485_HUMAN 0.04 0.72 ± 0.11 6.1 ± 3.8 4mbsA1,3rze_A,4djhA1,3vg9a,4jkvA2,1gzmA,3vw7_A,4ea3a,3vw7A,4djhA1
HG0354 Q8NHA6 OR2W6_HUMAN -0.35 0.67 ± 0.13 7.1 ± 4.1 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0355 Q6NWR5 Q6NWR5_HUMAN -1.09 0.58 ± 0.14 9.1 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0356 Q9BZJ7 GPR62_HUMAN -1.42 0.54 ± 0.15 9.9 ± 4.6 4iaqA1,3uon_A,4iaqA1,2ycya,2rh1A1,4iaqA1,2rh1_A,3zpqa,3emlA,4iaqA1
HG0357 Q8NH64 O51A7_HUMAN -0.19 0.69 ± 0.12 6.7 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3uonA1,3uon_A,4gpoa,3emlA1,3emlA1
HG0358 A6NL26 OR5BL_HUMAN 0.35 0.76 ± 0.1 5.5 ± 3.5 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG0359 P21554 CNR1_HUMAN -2.48 0.43 ± 0.14 9.99 ± 4.1 4iaqA1,3sn6R,3pbl_A,4ldea,4iaqA1,3sn6R,3vg9a,4iaqA1,4iaqA1,2rh1_A
HG0360 P13945 ADRB3_HUMAN -0.96 0.59 ± 0.14 9 ± 4.6 3sn6R2,2rh1_A,3sn6R,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,2rh1A,3sn6R2


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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