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Conformational investigation of α,β-dehydropeptides. XIII. Conformational properties of N-acetyl-α,β-dehydrovaline N',N'-dimethylamide.

100%

Siodłak D., Rzeszotarska B., Broda M. A., Kozioł A. E., Kołodziejczyk E.

vol. 51

issue 1

145-152

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.

Conformational properties of N',N'-dimethylamides of N-acetyldehydroalanine and N-acetyl-(Z)-dehydropheny-alanine.

100%

Siodłak D., Broda M. A., Rzeszotarska B., Kozioł A. E., Dybała I.

2001

vol. 48

issue 4

1179-1183

Conformational preferences of Ac-ΔAla-NMe2 and Ac-(Z)-ΔPhe-NMe2 were studied and compared with those of their monomethyl counterparts as well as with those of their saturated analogues. X-Ray data and energy calculations revealed a highly conservative conformation of the dehydro dimethylamides, which is located in a high-energy region of the Ramachandran map.

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2 Acta Biochimica Polonica

1 2004

1 2001

2 Broda M. A.

2 Kozioł A. E.

2 Rzeszotarska B.

2 Siodłak D.

1 Dybała I.

1 Kołodziejczyk E.

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Conformational investigation of α,β-dehydropeptides. XIII. Conformational properties of N-acetyl-α,β-dehydrovaline N',N'-dimethylamide.

Conformational properties of N',N'-dimethylamides of N-acetyldehydroalanine and N-acetyl-(Z)-dehydropheny-alanine.