Conformational investigation of alpha,beta-dehydropeptides. XIII. Conformational properties of N-acetyl-alpha,beta-dehydrovaline N',N'-dimethylamide

• Autorzy: Siodlak D. , Rzeszotarska B. , Broda M.A. , Koziol A.E. , Kolodziejczyk E.
• Języki publikacji: EN

Abstrakty

EN

The crystal structure of Ac-ΔVal-NMe2 (ΔVal = a,β-dehydrovaline) was determined by X-ray crystallography. The found angles φ = -60o and Ψ = 125° correspond exactly to the respective values of the (i + 1)th residue in idealised yS-turn II/VIa. Ab in­itio/DFT studies revealed that the molecule adopts the angle Ψ restricted only to about |130° | and very readily attains the angle φ about -50°. This is in line with its solid-state conformation. Taken together, these data suggest that the ΔVal residue combined with a C-terminal tertiary amide is a good candidate at the (i + 1)th posi­tion in a type II/VIa β-turn.

Słowa kluczowe

EN

valine derivative; N-acetyl-alpha,beta-dehydrovaline; X-ray crystallography; alpha-dehydropeptide; beta-dehydroamino acid; N',N'-dimethylamide; crystal structure; peptide design; alpha-dehydroamino acid; beta-dehydropeptide

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 2004
• Tom: 51
• Numer: 1
• Opis fizyczny: p.145-152,fig.,ref.

Twórcy

autor

Siodlak D.

• University of Opole, Oleska 48, 45-052 Opole, Poland

autor

Rzeszotarska B.

autor

Broda M.A.

autor

Koziol A.E.

autor

Kolodziejczyk E.

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