- Tytuł:
- Conformational investigation of α,β-dehydropeptides. XIII. Conformational properties of N-acetyl-α,β-dehydrovaline N',N'-dimethylamide.
- Autorzy:
-
Siodłak, Dawid
Rzeszotarska, Barbara
Broda, Małgorzata
Kozioł, Anna
Kołodziejczyk, Edyta - Powiązania:
- https://bibliotekanauki.pl/articles/1043332.pdf
- Data publikacji:
- 2004
- Wydawca:
- Polskie Towarzystwo Biochemiczne
- Tematy:
-
ab initio/DFT calculations
N',N'-dimethylamides
X-ray crystallography
α,β-dehydroamino acids
peptide design
valine derivative - Opis:
- The crystal structure of Ac-ΔVal-NMe2 (ΔVal = α,β-dehydrovaline) was determined by X-ray crystallography. The found angles φ = -60° and ψ = 125° correspond exactly to the respective values of the (i + 1)th residue in idealised β-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.
- Źródło:
-
Acta Biochimica Polonica; 2004, 51, 1; 145-152
0001-527X - Pojawia się w:
- Acta Biochimica Polonica
- Dostawca treści:
- Biblioteka Nauki
Artykuł