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001-es BibID:	BIBFORM010521
Első szerző:	Jackson, Graham E.
Cím:	Solution conformations of an insect neuropeptide : Crustacean cardioactive peptide (CCAP) / Graham E. Jackson, Andre N. Mabula, Shane R. Stone, Gerd Gäde, Katalin E. Kövér, László Szilágyi, David van der Spoel
Dátum:	2009
ISSN:	0196-9781
Megjegyzések:	The solution structure of crustacean cardioactive peptide (CCAP), a cyclic amidated nonapeptide neurohormone, was studied using molecular dynamics techniques, with constraints derived from NMR studies in water and water/dodecylphosphocholine micellar medium. This peptide, found in various invertebrates, has the primary sequence Pro(1) Phe(2) CyS3 Asn(4) Ala(5) Phe(6) Thr(7) Gly(8) Cys(9) NH2, with an intramolecular disulfide bridge between the two cysteine residues. In aqueous solution the peptide was found to have a type(IV) beta-turn between residues 5-8. In a water/decane biphasic medium a type(IV) beta-turn between residues 3 and 6 and two classic gamma-turns between residues 4-6 and 7-9, were found. Analysis of the H-1 and C-13 NMR chemical shifts data showed that the model free S order parameter of the residues varied between 0.65 and 0.9. The molecular dynamic root mean square fluctuations of structural ensembles of the backbone varied between 0.5 and 2.2 with the central residues showing the least fluctuations. (c) 2008 Elsevier Inc. All rights reserved.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Megjelenés:	Peptides. - 30 : 3 (2009), p. 557-564. -
További szerzők:	Mabula, Andre N. Stone, Shane R. Gade, Gerd Kövér Katalin, E. (1956-2023) (vegyész) Szilágyi László (1941-) (vegyész) Spoel, David van der
Internet cím:	DOI Intézményi repozitóriumban (DEA) tárolt változat
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