Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide

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

Abstrakty

EN

Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe2 (N-acetyl-L-alanine-N,N-dimethylamide) in terms of the N-H-O, N-H-N, C-H-O hydrogen bonds and C = O - dipole attractions was performed. The Ala residue combined with the C-terminal tertiary amide prefers an extended conformation and that characteristic of the (i + 1)th position of the βVIb turn. These can be easily re­modelled into a structure compatible with the (i + 1)th position of the ySlI/ySVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the βIII/βIIIr turn or the (i + 1)th position of the βI/β'I turn.

Słowa kluczowe

EN

alanine derivative; conformational property; N-acetyl-L-alanine; N-alkylpeptide; N',N'-dimethylamide; peptide design

• Wydawca: -
• Czasopismo: Acta Biochimica Polonica
• Rocznik: 2004
• Tom: 51
• Numer: 1
• Opis fizyczny: p.137-143,fig.,ref.

Twórcy

autor

Siodlak D.

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

autor

Rzeszotarska B.

autor

Broda M.A.

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