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
HG0150 Q15617 OR8G1_HUMAN 0 0.71 ± 0.11 6.3 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0151 P30988 CALCR_HUMAN -1.98 0.48 ± 0.15 9.99 ± 4.4 4l6rA,4l6r_A,4l6rA,4l6ra,4l6rA,4l6rA,4k5y_A,4l6ra,4l6rA,4l6rA
HG0152 Q7Z602 GP141_HUMAN 1.14 0.87 ± 0.07 3.9 ± 2.6 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4ea3a,3vw7A,4mbsA1
HG0153 Q8NGR9 OR1N2_HUMAN -0.78 0.62 ± 0.14 8.1 ± 4.4 4iaqA1,2rh1_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0154 Q86SQ3 EMR4_HUMAN -2.05 0.47 ± 0.15 9.99 ± 4.4 4k5yA2,4l6r_A,4l6rA,4l6ra,4l6rA,4l6ra,4l6rA2,4l6rA,4k5y_A,4l6r_A
HG0155 Q6NWR6 Q6NWR6_HUMAN -1.53 0.53 ± 0.15 9.99 ± 4.6 4mbsA1,3vw7_A,4mbsA1,4ea3a,4mbsA1,4mbsA1,3odu_A,4mbsa,3vw7A,4mbsA1
HG0156 P35372 OPRM_HUMAN -1.52 0.53 ± 0.15 9.99 ± 4.6 4dkl_A,4dkl_A,4ej4a,4ej4a,4ea3B2,4ea3B,4ea3B,4ea3B2,4ea3B2,4ea3B
HG0157 Q502V2 Q502V2_HUMAN -2.43 0.43 ± 0.14 9.99 ± 4.2 4mbsA1,3odu_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4ea3B,4mbsA1
HG0158 P0C7N8 OR9G9_HUMAN -0.26 0.68 ± 0.12 6.8 ± 4 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0159 Q8N148 OR6V1_HUMAN -0.08 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0160 Q8NHA1 Q8NHA1_HUMAN -1.46 0.54 ± 0.15 9.6 ± 4.6 3uonA1,2rh1_A,3emlA1,3emla,3emlA1,4iaqA1,4grv_A,3sn6r,3emlA1,3emlA1
HG0161 B9EGX1 B9EGX1_HUMAN -0.28 0.68 ± 0.12 6.9 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,3vw7_A,2ydoa,3emlA1,3emlA1
HG0162 Q8NGD8 Q8NGD8_HUMAN 0.53 0.78 ± 0.09 4.9 ± 3.2 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,2z73A,4grv_A,2ydoa,3emlA1,3emlA1
HG0163 Q4KKW2 Q4KKW2_HUMAN 0.31 0.75 ± 0.1 6 ± 3.7 2ks9A,2ks9_A,2ks9A,2ks9a,2ks9A,2ks9A,3odu_A,2ks9a,2ks9A,2ks9A
HG0164 P34969 5HT7R_HUMAN -2.47 0.43 ± 0.14 9.99 ± 4.1 4ib4A,2rh1_A,4iaqA1,3zpqa,4ib4A,4ib4A,2rh1_A,3zpqa,3sn6R,4iaqA1
HG0165 O43193 MTLR_HUMAN -0.36 0.67 ± 0.13 7.7 ± 4.3 2ks9A,3odu_A,2ks9A,2ks9a,2ks9A,3sn6R2,2rh1_A,2ks9a,2ks9A,2ks9A
HG0166 P28223 5HT2A_HUMAN -2.32 0.44 ± 0.14 9.99 ± 4.2 4ib4A,2ks9A,2rh1_A,2ks9A,3zpqa,2ks9A,4ib4A,2ks9A,4ib4A,3odu_A
HG0167 Q6NWQ5 Q6NWQ5_HUMAN -0.15 0.69 ± 0.12 6.8 ± 4 4mbsA1,3odu_A,4mbsA1,4ea3a,4mbsA1,4ea3B2,3odu_A,4ea3a,4djhA,4mbsA1
HG0168 B9EIM5 B9EIM5_HUMAN -0.08 0.7 ± 0.12 6.5 ± 3.9 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG0169 Q13258 PD2R_HUMAN 0.18 0.74 ± 0.11 6.2 ± 3.8 2z73A,2rh1_A,2ks9A,2z73a,1l9ha,2z73A,2rh1_A,3zpqa,2ks9A,2ks9A
HG0170 Q8NGR8 OR1L8_HUMAN 0.08 0.72 ± 0.11 6.1 ± 3.8 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0171 Q8NGB6 OR4M2_HUMAN -0.34 0.67 ± 0.13 7 ± 4.1 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0172 P25025 CXCR2_HUMAN -0.24 0.68 ± 0.12 7.1 ± 4.2 2lnl_A,2lnlA,2lnlA,2lnlA,2lnlA,2lnlA,2lnl_A,2lnlA,2lnlA,2lnlA
HG0173 B2RUT5 B2RUT5_HUMAN 0.27 0.75 ± 0.1 5.7 ± 3.6 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0174 Q5QIP1 Q5QIP1_HUMAN -1.3 0.55 ± 0.15 9.5 ± 4.6 4mbsA,4mbsA,4mbsa,4mbsA,4mbsA,4mbsa,4mbsA1,4mbsA1,4mbsA1,4mbsA1
HG0175 Q8NH94 OR1L1_HUMAN -0.04 0.71 ± 0.12 6.7 ± 4 1l9ha,4iaqA1,3sn6r,4grv_A,3sn6R,3emlA1,3emlA1,4iaqA1,4grv_A,3emlA1
HG0176 P59922 OR2B8_HUMAN 0.15 0.73 ± 0.11 5.9 ± 3.7 4iaqA1,3uon_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG0177 Q2YD89 Q2YD89_HUMAN -0.5 0.65 ± 0.13 7.8 ± 4.4 2rh1_A,2ziyA,4iaqA1,2ziya,2rh1_A,2z73A,2z73a,1l9ha,2z73A,1l9ha
HG0178 Q68CR4 Q68CR4_HUMAN 0.5 0.78 ± 0.1 5.5 ± 3.5 1u19A,1u19_A,2g87A,1l9ha,1l9ha,1gzmA,1u19_A,1l9ha,2ziyA,2g87A
HG0179 Q8TBK4 Q8TBK4_HUMAN -0.47 0.65 ± 0.13 7.6 ± 4.3 4mbsA1,3vw7_A,4mbsA1,4mbsa,4mbsA1,4mbsA1,3odu_A,4mbsa,4mbsA,4mbsA1
HG0180 O76002 OR2J2_HUMAN -0.02 0.71 ± 0.12 6.3 ± 3.9 3pblA1,3uon_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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