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Inne
α-helical peptides are not protonated at the N-terminus in the gas phase.
Autorzy
Rok wydania
2004
Czasopismo
Journal of the American Chemical Society
Numer woluminu
126
Strony
12278-12279
DOI
10.1021/ja048033s
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
DFT/AM1 ONIOM calculations using B3LY/D95** indicate that protonations of α-helical alaN (N = 14, 17) occur preferentially at the COOH and CO groups near the COOH terminus of the peptides. Protonations at the N-termini lead to local helical unraveling. The preference for protonation at or near the COOH terminus increases with N. Hydration should relatively favor the N-protonated structures, but at the expense of further unraveling. Since α-helices in proteins often form “bundles” that are not well-hydrated, the CO groups at the ends of these helices might be readily protonated.
Słowa kluczowe
Carboxyls, Chemical structure, Peptides and proteins, Protein structure
Adres publiczny
https://doi.org/10.1021/ja048033s
Strona internetowa wydawcy
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