Polymethylene spacer linked bis(Ala) peptides form modified beta-sheet structures. Crystal structure and self-assembly pattern of adipoyl and suberoyl analogues.

I L Karle, D Ranganathan
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Abstract

The adipoyl- and suberoyl-linked bis(Ala) peptides have an extended backbone between the two C alpha atoms in each molecule. They self-assemble, through intermolecular hydrogen bonds and stacking of parallel strands, into highly ordered modified beta-sheet-like structures. Crystals data for adipoyl bis(Ala)diester are as follows: C14H24N2O6, monoclinic space group P2(1), a = 4.900(1), b = 29.093(10), c = 6.021(2) A, beta = 104.20(2) degrees, R = 0.053 for 1100 data > 3 sigma (F); for suberoyl bis(Ala)diester: C16H28N2O6, monoclinic space group P2(1), a = 4.887(2), b = 32.650(9), c = 6.004(2) A, beta = 103.79(3), R = 0.070 for 1065 data > 3 sigma (F).

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聚亚甲基间隔剂连接双(α)肽形成修饰的β -片结构。脂酰基和亚酰基类似物的晶体结构和自组装模式。
脂酰基和亚酰基连接的双(Ala)肽在每个分子的两个C α原子之间有一个延伸的主链。它们通过分子间氢键和平行链的堆叠自组装,形成高度有序的修饰β -薄片状结构。二聚酰基双(Ala)二酯的晶体数据如下:C14H24N2O6,单斜空间群P2(1), a = 4.900(1), b = 29.093(10), c = 6.021(2) a, β = 104.20(2)度,R = 0.053, 1100数据> 3 sigma (F);对于亚硝基双(Ala)二酯:C16H28N2O6,单斜空间群P2(1), a = 4.887(2), b = 32.650(9), c = 6.004(2) a,当1065个数据> 3 sigma (F)时,beta = 103.79(3), R = 0.070。
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