Conformational studies of cyclohexapeptide analogs of elastin sequences: Cyclo(Ala-Pro-Gly-Ala-Pro-Gly)

Autor:	Mohammad A. Khaled, R. S. Rapaka, Hiroshi Sugano, Dan W. Urry, V. Renugopalakrishnan
Rok vydání:	2009
Předmět:	biology Hydrogen bond Chemistry Stereochemistry Condensed Matter Physics Antiparallel (biochemistry) Atomic and Molecular Physics and Optics Solvent Residue (chemistry) Intramolecular force biology.protein Proton NMR Physical and Theoretical Chemistry Elastin Ramachandran plot
Zdroj:	International Journal of Quantum Chemistry. 14:69-78
ISSN:	1097-461X 0020-7608
DOI:	10.1002/qua.560140710
Popis:	Synthesis and conformation of a cyclohexapeptide [cyclo(L-Ala1-L-Pro2-Gly3-L-Ala4-L-Pro5-Gly6) c(APGAPG)] is reported in this paper. Conformational studies were performed using a combined approach of conformational energy calculations and 1H NMR studies in a low dielectric constant solvent, CDCl3. The results obtained from the two different methods agree reasonably well, and the minimun energy conformation derived from them is found to be stabilized by an antiparallel β-type conformation with two intramolecular hydrogen bonds between the Ala4 NH and Ala1 C O and the Ala1 NH and Ala4 C O groups. The Ramachandran map for the Ala residue in the cyclic hexapeptide reveals interesting conformational features, and its implications will be explored in more detail in future publications from this laboratory.
Databáze:	OpenAIRE
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