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基于经验能量计算的氨基琥珀酰二肽Ac-L-X-L-Asu-NMe的构象

Conformation of aminosuccinyl dipeptides Ac-L-X-L-Asu-NMe from empirical energy calculations.

作者信息

Capasso S, Mattia C A, Mazzarella L, Sica F, Zagari A

机构信息

Università Federico II, Napoli, Italy.

出版信息

Pept Res. 1992 Nov-Dec;5(6):325-30.

PMID:1493359
Abstract

The aminosuccinyl (Asu) residue is formed as intermediate in some peptide and protein reactions. Potential energy calculations, using the parameters of the empirical conformational energy program for peptides (ECEPP), were performed on blocked X-Asu dipeptides, where X = Gly, Ala, Ser, Val and Pro. Results indicate that intra-residue interactions are dominant, and the low-energy dipeptide conformations correspond to the low-energy single-residue minima. Comparisons were made with previous results from energy calculations on blocked Asu-X dipeptides (X = Gly, Ala, Ser and Val).

摘要

氨基琥珀酰(Asu)残基在某些肽和蛋白质反应中作为中间体形成。使用肽的经验构象能量程序(ECEPP)的参数,对封闭的X-Asu二肽进行了势能计算,其中X =甘氨酸、丙氨酸、丝氨酸、缬氨酸和脯氨酸。结果表明,残基内相互作用占主导地位,低能量二肽构象对应于低能量单残基最小值。并与之前对封闭的Asu-X二肽(X =甘氨酸、丙氨酸、丝氨酸和缬氨酸)进行能量计算的结果进行了比较。

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