脑啡肽的X射线衍射研究。[(4'-溴)苯丙氨酸4，亮氨酸5]脑啡肽的晶体结构。
X-ray diffraction studies of enkephalins. Crystal structure of [(4'-bromo) Phe4,Leu5]enkephalin.
作者信息
Ishida T, Kenmotsu M, Mino Y, Inoue M, Fujiwara T, Tomita K, Kimura T, Sakakibara S
出版信息
Biochem J. 1984 Mar 15;218(3):677-89. doi: 10.1042/bj2180677.
Abstract
In order to investigate the structure-activity relationship of [Leu5]- and [Met5]enkephalins, [(4'-bromo)Phe4, Leu5]-, [(4'-bromo)Phe4, Met5]- and [Met5] enkephalins were synthesized and crystallized. The crystal structure of [(4'-bromo) Phe4, Leu5]- enkephalin was determined by X-ray diffraction method using the heavy atom method and refined to R = 0.092 by the least-squares method. The molecule in this crystal took essentially the same type I' beta-turn conformation found in [Leu5]enkephalin [Smith & Griffin (1978) Science 199, 1214-1216). On the other hand, the preliminary three-dimensional Patterson analyses showed that the most probable conformations of [(4'-bromo)Phe4,Met5]- and [Met5]enkephalins are both the dimeric extended forms. Based on these insights, the biologically active conformation of enkephalin was discussed in relation to the mu- and delta-receptors.
摘要
为了研究[亮氨酸5]-和[甲硫氨酸5]脑啡肽的构效关系，合成并结晶了[(4'-溴)苯丙氨酸4，亮氨酸5]-、[(4'-溴)苯丙氨酸4，甲硫氨酸5]-和[甲硫氨酸5]脑啡肽。[(4'-溴)苯丙氨酸4，亮氨酸5]-脑啡肽的晶体结构通过重原子法用X射线衍射法测定，并通过最小二乘法精修至R = 0.092。该晶体中的分子具有与[亮氨酸5]脑啡肽中发现的基本相同的I'型β-转角构象[史密斯和格里芬(1978年)《科学》199，1214 - 1216]。另一方面，初步的三维帕特森分析表明，[(4'-溴)苯丙氨酸4，甲硫氨酸5]-和[甲硫氨酸5]脑啡肽最可能的构象都是二聚体伸展形式。基于这些见解，讨论了脑啡肽与μ-和δ-受体相关的生物活性构象。
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