3-dimensional structures of G protein-coupled receptors and binding sites of agonists and antagonists

Journal of Nutrition

Volumn 137, Issue 6, 2007, Pages

  Goddard III, William A ^a   Abrol, Ravinder ^a  

^a CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ADRENALIN; ADRENERGIC RECEPTOR; CHEMOKINE RECEPTOR; DOPAMINE; DOPAMINE RECEPTOR; G PROTEIN COUPLED RECEPTOR; HISTAMINE; MUSCARINIC RECEPTOR; RHODOPSIN; SEROTONIN;

BINDING SITE; CELL COMMUNICATION; CONFERENCE PAPER; METHODOLOGY; MUTATION; NOCICEPTION; ODOR; RECEPTOR BINDING; RECEPTOR UPREGULATION; STRUCTURE ANALYSIS; TASTE; THREE DIMENSIONAL IMAGING; VALIDATION PROCESS; VISION;

BOVINAE;

EID: 34249817116     PISSN: 00223166     EISSN: 15416100     Source Type: Journal    
DOI: 10.1093/jn/137.6.1528s     Document Type: Conference Paper

References (33)

1. Fredriksson R, Lagerstrom MC, Lundin LG, Schioth HB. The G-protein-coupled receptors in the human genome form five main families. Phylogenetic analysis, paralogon groups, and fingerprints. Mol Pharmacol. 2003;63:1256-72.
2. Lefkowitz RJ, Pierce KL, Luttrell LM. Dancing with different partners: protein kinase A phosphorylation of seven membrane-spanning receptors regulates their G protein-coupling specificity. Mol Pharmacol. 2002;62:971-4.
3. Bartfai T, Benovic JL, Bockaert J, Bond RA, Bouvier M, Christopoulos A, Civelli O, Devi LA, George SR, et al. The state of GPCR research in 2004. Nat Rev Drug Discov. 2004;3:575, 577-626.
4. Tang CM, Insel PA. Genetic variation in G-protein-coupled receptors-consequences for G-protein-coupled receptors as drug targets. Expert Opin Ther Targets. 2005;9:12472-65.
5. Lundstrom K. Latest development in drug discovery on G-protein coupled receptors. Curr Protein Pept Sci. 2006;7:465-70.
6. Hopkins AL, Groom CR. The druggable genome. Nat Rev Drug Discov. 2002;1:727-30.
7. Palczewski K, Kumasaka T, Hori T, Behnke CA, Motoshima H, Fox BA, Le Trong I, Teller DC, Okada T, et al. Crystal structure of rhodopsin: a G protein-coupled receptor. Science. 2000;289:739-45.
8. Vaidehi N, Floriano WB, Trabanino R, Hall SE, Freddolino P, Choi EJ, Goddard WA III. Structure and function of GPCR. Proc Natl Acad Sci USA. 2002;99:12622-7.
9. Floriano WB, Vaidehi N, Singer M, Shepherd G, Goddard WA III. Molecular mechanisms underlying differential odor responses of a mouse olfactory receptor. Proc Natl Acad Sci USA. 2000;97:10712-6.
10. Cho A, Wendel JA, Vaidehi N, Kekenes-Huskey PM, Floriano WB, Maiti PK, Goddard WA III. The MPSim-Dock Hierarchical Docking Algorithm: application to the eight trypsin inhibitor co-crystals. J Comput Chem. 2005;26:48-71.
11. Kalani MY, Vaidehi N, Hall SE, Floriano WB, Trabanino RJ, Freddolino PL, Kam V, Goddard WA III. The predicted 3D structure of the human D2 dopamine receptor and the binding site and binding affinities for agonists and antagonists. Proc Natl Acad Sci USA. 2004;101:3815-20.
12. Freddolino PL, Kalani MY, Vaidehi N, Floriano WB, Trabanino RJ, Freddolino PL, Kam V, Goddard WA III. Structure and function prediction for human β2-adrenergic receptor. Proc Natl Acad Sci USA. 2004;101:2736-41.
13. Peng JY, Vaidehi N, Hall SE, Goddard WA III. The predicted 3D structures of the human M1 muscarinic acetylcholine receptor with agonist or antagonist bound. ChemMedChem. 2006;1:878-90.
14. Vaidehi N, Schlyer S, Trabanino RJ, Floriano WB, Abrol R, Sharma S, Kochanny M, Koovakat S, Dunning L, et al. Predictions of CCR1 chemokine receptor structure and BX 471 antagonist binding followed by experimental validation. J Biol Chem. 2006;281:27613-20.
15. Strader CD, Fong TM, Tota MR, Underwood D, Dixon RAF. Structure and function of G-protein coupled receptors. Annu Rev Biochem. 1994;63:101-32.
16. Liapakis G, Ballesteros JA, Papachristou S, Chan WC, Chen X, Javitch JA. The forgotten serine: a critical role for Ser-203(5.42) in ligand binding to and activation of the beta(2)-adrenergic receptor. J Biol Chem. 2000;275:37779-88.
17. Spijker P, Vaidehi N, Freddolino PL, Hilbers PA, Goddard WA III. Dynamic behavior of fully solvated β2-adrenergic receptor, embedded in the membrane with bound agonist or antagonist. Proc Natl Acad Sci USA. 2006;103:4882-7.
18. Shi L, Javitch JA. The binding site of aminergic G protein-coupled receptors: the transmembrane segments and second extracellular loop. Annu Rev Pharmacol Toxicol. 2002;42:437-67.
19. Teeter MM, Froimowitz M, Stec B, DuRand CJ. Homology modeling of the dopamine D2 receptor and its testing by docking of agonists and tricyclic antagonists. J Med Chem. 1994;37:2874-88.
20. Cho W, Taylor LP, Mansour A, Akil H. Hydrophobic residues of the D2 dopamine receptor are important for binding and signal transduction. J Neurochem. 1995;65:2105-15.
21. Javitch JA, Ballesteros JA, Weinstein H, Chen J. A cluster of aromatic residues in the sixth membrane-spanning segment of the dopamine D2 receptor is accessible in the binding-site crevice. Biochemistry. 1998;37:998-1006.
22. Fu D, Ballesteros JA, Weinstein H, Chen J, Javitch JA. Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice. Biochemistry. 1996;35:11278-85.
23. Shi L, Simpson MM, Ballesteros JA, Javitch JA. The first transmembrane segment of the dopamine D2 receptor: accessibility in the bindingsite crevice and position in the transmembrane bundle. Biochemistry. 2001;40:12339-48.
24. Simpson MM, Ballesteros JA, Chiappa V, Chen J, Suehiro M, Hartman DS, Godel T, Snyder L, Sakmar TP, et al. Dopamine D4/D2 receptor selectivity is determined by a divergent aromatic microdomain contained within the second, third, and seventh membrane-spanning segments. Mol Pharmacol. 1999;56:1116-26.
25. Dijkstra D, Rodenhuis N, Vermeulen ES, Pugsley TA, Wise LD, Wikstrom HV. Further characterization of structural requirements for ligands at the dopamine D2 and D3 receptor: exploring the thiophene moiety. J Med Chem. 2002;45:3022-31.
26. Strange PG. Dopamine receptors: studies on structure and function. Adv Drug Res. 1996;28:313-51.
27. Hubbell WL, Altenbach C, Hubbell CM, Khorana HG. Rhodopsin structure, dynamics, and activation: a perspective from crystallography, site-directed spin labeling, sulfhydryl reactivity and disulfide cross-linking. Adv Protein Chem. 2003;63:243-90.
28. Dong X, Han S, Zylka MJ, Simon MI, Anderson DJ. A diverse family of GPCR expressed in specific subsets of nociceptive sensory neurons. Cell. 2001;106:619-32.
29. Floriano WB, Vaidehi N, Goddard WA III. Making sense of olfaction through predictions of the 3-D structure and function of olfactory receptor. Chem Senses. 2004;29:269-90.
30. Hall SE, Floriano WB, Vaidehi N, Goddard WA III. Predicted 3-D structures for mouse I7 and rat I7 olfactory receptors and comparison of predicted odor recognition profiles with experiment. Chem Senses. 2004;29:595-616.
31. Hummel P, Vaidehi N, Floriano WB, Hall SE, Goddard WA III. Test of the binding threshold hypothesis for olfactory receptors: explanation of the differential binding of ketones to the mouse and human orthologs of olfactory receptor 912-93. Protein Sci. 2005;14:703-10.
32. Trabanino R, Hall SE, Vaidehi N, Floriano WB, Goddard WA III. First principles prediction of the structure and function of G protein-coupled receptors: validation for bovine rhodopsin. Biophys J. 2004;86:1904-21.
33. Floriano WB, Hall S, Vaidehi N, Kim U, Drayna D, Goddard WA III. Modeling the human PTC bitter-taste receptor interactions with bitter tastants. J Mol Model. 2006;12:931-41.