Structure Models of GPCRs in Human Genome

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 << < 31 32 33 34 35 36 37 38 39 40 > >>

HG ID	UniProt ID	Entry Name	C-score	Estimated TM-score	Estimated RMSD	Top 10 Templates
HG1050	Q8NHB7	OR5K1_HUMAN	-0.48	0.65 ± 0.13	7.3 ± 4.2	4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,4grv_A,2ydoa,3emlA1,3emlA1
HG1051	Q8NH08	O10AC_HUMAN	-0.51	0.65 ± 0.13	7.5 ± 4.3	4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1052	P41595	5HT2B_HUMAN	-2.52	0.42 ± 0.14	9.99 ± 4.1	4ib4A,4ib4A,4ib4_A,4ib4_A,4ib4A,4ib4A,4ib4A,4ib4A,4ib4A,4ib4A
HG1053	O76000	OR2B3_HUMAN	-0.18	0.69 ± 0.12	6.7 ± 4	4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,3uon_A,2ydoa,3emlA1,3emlA1
HG1054	Q6NWQ9	Q6NWQ9_HUMAN	-0.42	0.66 ± 0.13	7.4 ± 4.2	4mbsA1,4mbs_A,2lnlA,4mbsa,4mbsA1,4mbsA1,2rh1_A,4mbsa,4mbsA,4mbsA1
HG1055	P21917	DRD4_HUMAN	-0.42	0.66 ± 0.13	8.1 ± 4.4	3pblA,4mbs_A,3pblA,3uona,4ib4A,3pblA,3pbl_A,3pbla,4ib4A,3uonA
HG1056	Q9NQN1	OR2S1_HUMAN	-0.22	0.69 ± 0.12	6.8 ± 4	4iaqA1,4mbs_A,3emlA1,2ydoa,3emlA1,4iaqA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1057	Q8NH73	OR4S2_HUMAN	-0.27	0.68 ± 0.12	6.8 ± 4.1	4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,3uon_A,2ydoa,3emlA1,3emlA1
HG1058	Q8NGI4	OR4DB_HUMAN	-0.15	0.69 ± 0.12	6.6 ± 4	4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1059	P41143	OPRD_HUMAN	-0.25	0.68 ± 0.12	7.2 ± 4.2	4ej4a,4ej4a,4dkl_A,4dkl_A,4ea3B,4ea3B,4ea3B,4ea3B,4ea3B,4ea3B2
HG1060	A2RUS0	A2RUS0_HUMAN	0.34	0.76 ± 0.1	6.3 ± 3.9	2rh1A,3odu_A,3uonA,3uona,4ib4A,2rh1A,2rh1_A,4iaqa,4ib4A,3uonA
HG1061	Q8NGD5	OR4KE_HUMAN	-0.3	0.67 ± 0.12	6.9 ± 4.1	4iaqA1,4mbs_A,3emlA1,1l9ha,3emlA1,3v2wA1,2rh1_A,2ydoa,3emlA1,3emlA1
HG1062	Q13255	GRM1_HUMAN	0.6	0.79 ± 0.09	4.6 ± 3	4or2A,4or2a,4or2a,4or2A,4or2A2,4or2A,4or2A2,4or2A,4or2A,4or2A2

Reference:

J Zhang, J Yang, R Jang, Y Zhang. Hybrid structure modeling of G protein-coupled receptors in the human genome. submitted (2015).