Open conformation of adipokinetic hormone receptor from the malaria mosquito facilitates hormone binding

Peptides

Volumn 32, Issue 3, 2011, Pages 553-559

  Mugumbate, Grace ^a   Jackson, Graham E ^a   Van Der Spoel, David ^b  

^a UNIVERSITY OF CAPE TOWN   (South Africa)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Adipokinetic hormones; Anopheles gambiae; GPCR; Homology modeling; Molecular modeling; Protein docking

Indexed keywords

ADIPOKINETIC HORMONE; ADIPONECTIN RECEPTOR; BETA 2 ADRENERGIC RECEPTOR; G PROTEIN COUPLED RECEPTOR; GLUTAMYLLEUCYLTHREONYLPHENYLALANYLTHREONYLPROLYLALANYLTRYPTOPHANAMIDE; GLUTAMYLLYSYLASPARAGINYLPHENYLALANYLSERYLPROLYLASPARAGINYLTRYPTOPHYLGLYCYLASPARA GINAMIDE; PEPTIDE; RHODOPSIN; UNCLASSIFIED DRUG;

ANOPHELES GAMBIAE; BINDING AFFINITY; BINDING SITE; CONFERENCE PAPER; CONTROLLED STUDY; CRYSTAL STRUCTURE; GENE CONSTRUCT; GENE IDENTIFICATION; HIGH TEMPERATURE; HORMONE BINDING; MALARIA; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN CONFORMATION; RECEPTOR GENE; SEQUENCE HOMOLOGY; SIMULATION; THREE DIMENSIONAL IMAGING;

ANIMALS; ANOPHELES GAMBIAE; INSECT HORMONES; INSECT PROTEINS; INSECT VECTORS; MALARIA; MOLECULAR DYNAMICS SIMULATION; OLIGOPEPTIDES; PROTEIN BINDING; PROTEIN STRUCTURE, SECONDARY; PYRROLIDONECARBOXYLIC ACID; RECEPTORS, GLUCAGON; STRUCTURE-ACTIVITY RELATIONSHIP;

ANOPHELES GAMBIAE; HEXAPODA; MELOIDAE;

EID: 79951510097     PISSN: 01969781     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.peptides.2010.08.017     Document Type: Conference Paper

References (56)

1. N.R.A. Beeley, and C. Sage GPCRs: an update on structural approaches to drug discovery Drug Discovery Today: TARGETS 2 2003 19 25 (Pubitemid 40410995)
2. M. Belmont, G. Cazzamali, M. Williamson, F. Hauser, and C.J.P. Grimmelikhuijzen Identification of four evolutionarily related G protein-coupled receptors from the malaria mosquito Anopheles gambiae Biochem Biophys Res Commun 344 2006 160 165
3. H.M. Berman, T.N. Bhat, P.E. Bourne, Z. Feng, G. Gilliland, and H. Weissig The protein data bank and the challenge of structural genomics Nat Struct Biol 7 2000 957 959
4. P. Chelikani, V. Hornak, M. Eilers, P.J. Reeves, S.O. Smith, and U.L. RajBhandary Role of group-conserved residues in the helical core of β2-adrenergic receptor Proc Natl Acad Sci U S A 104 2007 7027 7032 (Pubitemid 47186003)
5. V. Cherezov, D.M. Rosenbaum, M.A. Hanson, S.G.F. Rasmussen, S.T. Foon, and T.S. Kobilka High-resolution crystal structure of an engineered human β2-adrenergic G protein-coupled receptor Science 318 2007 1258 1265 (Pubitemid 350172884)
6. M. Choi, E. Fuerst, A. Rafaeli, and R. Jurenka Role of extracellular domains in PBAN/pyrokinin GPCRs from insects using chimera receptors Insect Biochem Mol Biol 37 2007 296 306 (Pubitemid 46401387)
7. A. Craig, S. Kyes, H. Ranson, and J. Hemingway Malaria parasite and vector genomes: Partners in crime Trends Parasitol 19 2003 356 362 (Pubitemid 36930019)
8. The PyMol molecular graphics system [homepage on the Internet].: Delano Scientific LLC. Available from: http://www.pymol.org.
9. X. Deupi, M. Olivella, C. Govaerts, J.A. Ballesteros, M. Campillo, and L. Pardo Ser and thr residues modulate the conformation of pro-kinked transmembrane α-helices Biophys J 86 2004 105 115 (Pubitemid 38067440)
10. R.O. Dror, D.H. Arlow, D.W. Borhani, Jensen MØ, S. Piana, and D.E. Shaw Identification of two distinct inactive conformations of the β2-adrenergic receptor reconciles structural and biochemical observations Proc Natl Acad Sci U S A 106 2009 4689 4694
11. C.E. Elling, and T.W. Schwartz Connectivity and orientation of the seven helical bundle in the tachykinin NK-1 receptor probed by zinc site engineering EMBO J 15 1996 6213 6219 (Pubitemid 26397894)
12. C.E. Elling, S.M. Nielsen, and T.W. Schwartz Conversion of antagonist-binding site to metal-ion site in the tachykinin NK-1 receptor Nature 374 1995 74 77
13. Z.T. Farahbakhsh Mapping light-dependent structural changes in the cytoplasmic loop connecting helices C and D in rhodopsin: a site-directed spin labeling study Biochemistry 34 1995 8812 8819
14. N. Fernandez-Fuentes, B. Oliva, and A. Fiser A supersecondary structure library and search algorithm for modeling loops in protein structures Nucleic Acids Res 34 2006 2085 2097 (Pubitemid 44314206)
15. A. Fiser, R. Kinh Gian Do, and A. Sali Modeling of loops in protein structures Protein Sci 9 2000 1753 1773
16. T.M. Fong, H. Yu, R.-C. Huang, and C.D. Strader The extracellular domain of the neurokinin-1 receptor is required for high-affinity binding of peptides Biochemistry (NY) 31 1992 11806 11811
17. D. Fu, J.A. Ballesteros, H. Weinstein, J. Chen, and J.A. Javitch Residues in the seventh membrane-spanning segment of the dopamine D2 receptor accessible in the binding-site crevice Biochemistry (NY) 35 1996 11278 11285 (Pubitemid 26299300)
18. G. Gäde, and L. Auerswald Mode of action of neuropeptides from the adipokinetic hormone family Gen Comp Endocrinol 132 2003 10 20 (Pubitemid 36579416)
19. G. Gäde, and L. Auerswald Flight substrates and their regulation by a member of the AKH/RPCH family of neuropeptides in cerambycidae J Insect Physiol 46 2000 1575 1584
20. G. Gäde, and L. Auerswald Flight substrates in blister beetles (coleoptera: Meloidae) and their regulation by neuropeptides of the AKH/RPCH family Eur J Entomol 96 1999 331 335 (Pubitemid 30042177)
21. U. Gether Uncovering molecular mechanisms involved in activation of G protein-coupled receptors Endocr Rev 21 2000 90 113 (Pubitemid 32260396)
22. C. Hetényi, and D. Van Der Spoel Efficient docking of peptides to proteins without prior knowledge of the binding site Protein Sci 11 2002 1729 1737 (Pubitemid 34663553)
23. R.A. Holt, G.M. Subramanian, A. Halpern, G.G. Sutton, R. Charlab, and D.R. Nusskern The genome sequence of the malaria mosquito Anopheles gambiae Science 298 2002 129 149
24. V. Jaakola, M.T. Griffith, M.A. Hanson, V. Cherezov, E.Y.T. Chien, and J.R. Lane The 2.6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist Science 322 2008 1211 1217
25. G.E. Jackson, A.N. Mabula, S.R. Stone, G. Gade, K.E. Kover, and L. Szilagyi Solution conformations of an insect neuropeptide: Crustacean cardioactive peptide (CCAP) Peptides 30 2009 557 564
26. D.T. Jones Improving the accuracy of transmembrane protein topology prediction using evolutionary information Bioinformatics 23 2007 538 544 (Pubitemid 46522586)
27. G.A. Kaminski, R.A. Friesner, J. Tirado-Rives, and W.L. Jorgensen Evaluation and reparametrization of the OPLS-AA force field for proteins via comparison with accurate quantum chemical calculations on peptides J Phys Chem B 105 2001 6474 6487 (Pubitemid 35339015)
28. C. Kaufmann, and M.R. Brown Regulation of carbohydrate metabolism and flight performance by a hypertrehalosaemic hormone in the mosquito Anopheles gambiae J Insect Physiol 54 2008 367 377
29. C. Kaufmann, and M.R. Brown Adipokinetic hormones in the african malaria mosquito, Anopheles gambiae: Identification and expression of genes for two peptides and a putative receptor Insect Biochem Mol Biol 36 2006 466 481 (Pubitemid 43766974)
30. B. Kobilka, and G.F.X. Schertler New G-protein-coupled receptor crystal structures: insights and limitations Trends Pharmacol Sci 29 2008 79 83
31. B.K. Kobilka G protein coupled receptor structure and activation Biochim Biophys Acta - Biomembranes 1768 2007 794 807 (Pubitemid 46452546)
32. R. Koradi, M. Billeter, and K. Wüthrich MOLMOL: a program for display and analysis of macromolecular structures J Mol Graph 14 1996 51 55 (Pubitemid 26152976)
33. W.K. Kroeze, D.J. Sheffler, and B.L. Roth G-protein-coupled receptors at a glance J Cell Sci 116 2003 4867 4869 (Pubitemid 38016693)
34. A.R. Leach Molecular modelling: principles and applications 2nd ed. 2001 Prentice Hall New York
35. M.A. Martí-Renom, A.C. Stuart, A. Fiser, R. Sánchez, F. Melo, and A. Sãli Comparative protein structure modeling of genes and genomes Ann Rev Biophys Biomol Struct 29 2000 291 325 (Pubitemid 30599596)
36. D. Massotte, and B.L. Kieffer The second extracellular loop: a damper for G protein-coupled receptors? Nat Struct Mol Biol 12 2005 287 288 (Pubitemid 43093080)
37. L.J. McGuffin, K. Bryson, and D.T. Jones The PSIPRED protein structure prediction server Bioinformatics 16 2000 404 405 (Pubitemid 30417087)
38. E.L. Mehler, S.A. Hassan, S. Kortagere, and H. Weinstein Ab initio computational modeling of loops in G-protein-coupled receptors: lessons from the crystal structure of rhodopsin Proteins: Struct Funct Genetics 64 2006 673 690 (Pubitemid 44100733)
39. G.M. Morris, D.S. Goodsell, R.S. Halliday, R. Huey, W.E. Hart, and R.K. Belew Automated docking using a lamarckian genetic algorithm and an empirical binding free energy function J Comput Chem 19 1998 1639 1662 (Pubitemid 128590223)
40. M.M. Nair, G.E. Jackson, and G. Gäde Conformational study of insect adipokinetic hormones using NMR constrained molecular dynamics J Comput Aided Mol Des 15 2001 259 270 (Pubitemid 32219939)
41. G.V. Nikiforovich, C.M. Taylor, G.R. Marshall, and T.J. Baranski Modeling the possible conformations of the extracellular loops in G-protein-coupled receptors Proteins: Struct Funct Bioinformat 78 2010 271 285
42. M.A. Olson, M. Feig, and C.L. Brooks III Prediction of protein loop conformations using multiscale modeling methods with physical energy scoring functions J Comput Chem 29 2008 820 831 (Pubitemid 351364856)
43. K. Palczewski, T. Kumasaka, T. Hori, C.A. Behnke, H. Motoshima, and B.A. Fox Crystal structure of rhodopsin: a G protein-coupled receptor Science 289 2000 739 745 (Pubitemid 30650186)
44. J.H. Park, P. Scheerer, K.P. Hofmann, H. Choe, and O.P. Ernst Crystal structure of the ligand-free G-protein-coupled receptor opsin Nature 454 2008 183 187 (Pubitemid 351969893)
45. J.H. Perlman, A. Colson, W. Wang, K. Bence, R. Osman, and M.C. Gershengorn Interactions between conserved residues in transmembrane helices 1, 2, and 7 of the thyrotropin-releasing hormone receptor J Biol Chem 272 1997 11937 11942 (Pubitemid 27202767)
46. A. Rafaeli Pheromone biosynthesis activating neuropeptide (PBAN): regulatory role and mode of action Gen Comp Endocrinol 162 2009 69 78
47. S.G.F. Rasmussen, H. Choi, D.M. Rosenbaum, T.S. Kobilka, F.S. Thian, and P.C. Edwards Crystal structure of the human β2 adrenergic G-protein-coupled receptor Nature 450 2007 383 387 (Pubitemid 350126755)
48. A. Sali, and T.L. Blundell Comparative protein modelling by satisfaction of spatial restraints J Mol Biol 234 1993 779 815 (Pubitemid 24007801)
49. P. Scheerer, J.H. Park, P.W. Hildebrand, Y.J. Kim, N. Krauß, and H. Choe Crystal structure of opsin in its G-protein-interacting conformation Nature 455 2008 497 502
50. S.C. Sealfon, H. Weinstein, and R.P. Millar Molecular mechanisms of ligand interaction with the gonadotropin-releasing hormone receptor Endocr Rev 18 1997 180 205 (Pubitemid 27171519)
51. V.Z. Spassov, P.K. Flook, and L. Yan LOOPER: a molecular mechanics-based algorithm for protein loop prediction Protein Eng Des Select 21 2008 91 100 (Pubitemid 351301921)
52. F. Staubli, T.J.D. Jørgensen, G. Cazzamali, M. Williamson, C. Lenz, and L. Søndergaard Molecular identification of the insect adipokinetic hormone receptors Proc Natl Acad Sci U S A 99 2002 3446 3451 (Pubitemid 34252128)
53. R.E. Stenkamp, D.C. Teller, and K. Palczewski Crystal structure of rhodopsin: a G-protein-coupled receptor ChemBioChem 3 2002 963 967 (Pubitemid 35177747)
54. D.J. Van Der Horst Insect adipokinetic hormones: release and integration of flight energy metabolism Comparat Biochem Physiol - B: Biochem Mol Biol 136 2003 217 226 (Pubitemid 38352751)
55. D. Van Der Spoel, E. Lindahl, B. Hess, G. Groenhof, A.E. Mark, and H.J.C. Berendsen GROMACS: fast, flexible, and free J Comput Chem 26 2005 1701 1718 (Pubitemid 43076182)
56. M Wheatley, and S.R. Hawtin Glycosylation of G-protein-coupled receptors for hormones central to normal reproductive functioning: its occurrence and role Hum Reprod Update 5 1999 356 364 (Pubitemid 29381281)