- Tytuł:
- Conformational properties of N-acetyl-L-alanine N',N'-dimethylamide.
- Autorzy:
-
Siodłak, Dawid
Rzeszotarska, Barbara
Broda, Małgorzata - Powiązania:
- https://bibliotekanauki.pl/articles/1043329.pdf
- Data publikacji:
- 2004
- Wydawca:
- Polskie Towarzystwo Biochemiczne
- Tematy:
-
ab initio/DFT calculations
N-alkylpeptides
β-turns
alanine derivative
N',N'-dimethylamides
peptide design - Opis:
- 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 Cδ+ = Oδ- 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 βII/βVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the βIII/βIII' turn or the (i + 1)th position of the βI/β'I turn.
- Źródło:
-
Acta Biochimica Polonica; 2004, 51, 1; 137-143
0001-527X - Pojawia się w:
- Acta Biochimica Polonica
- Dostawca treści:
- Biblioteka Nauki
Artykuł