Search results for "N-acetyl-L-alanine"

showing 2 items of 2 documents

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

2004

Ab initio/DFT analysis of the conformational properties of free Ac-Ala-NMe(2) (N-acetyl-L-alanine-N',N'-dimethylamide) in terms of the N-H.O, N-H.N, C-H.O hydrogen bonds and C(delta+) = O(delta-) 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 betaVIb turn. These can be easily remodelled into a structure compatible with the (i + 1)th position of the betaII/betaVIa turn. The residue has also the potential to adopt the conformation accommodated at both central positions of the betaIII/betaIII' turn or the (i + 1)th position of the betaI/beta'I turn.

Models MolecularAlkylationProtein ConformationStereochemistryMolecular ConformationAb initioCalorimetryN-acetyl-L-alanineGeneral Biochemistry Genetics and Molecular Biologyab initio/DFT calculationschemistry.chemical_compoundResidue (chemistry)AmideN-alkylpeptidesPeptide designAlanineHydrogen bondN′N′-dimethylamidesAmidesβ-turnsDipoleCrystallographyAlanine derivativechemistryThermodynamicsPeptidesActa Biochimica Polonica
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CCDC 192134: Experimental Crystal Structure Determination

2003

Related Article: B.Rzeszotarska, D.Siodlak, M.A.Broda, I.Dybala, A.E.Koziol|2002|J.Pept.Res.|59|79|doi:10.1034/j.1399-3011.2002.10951.x

Space GroupCrystallographyCrystal SystemCrystal StructureCell ParametersN-Acetyl-L-alanine N'-dimethylamideExperimental 3D Coordinates
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