Solution conformation of the Pseudomonas syringae pv syringae phytotoxic lipodepsipeptide syringopeptin 25-A - Two-dimensional NMR, distance geometry and molecular dynamics
Solution conformation of the Pseudomonas syringae pv syringae phytotoxic lipodepsipeptide syringopeptin 25-A - Two-dimensional NMR, distance geometry and molecular dynamics
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DOI：
10.1111/j.1432-1033.1995.747_a.x
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发表时间：
1995-12-15
期刊：
影响因子：
--
通讯作者：
Segre, AL
中科院分区：
文献类型：
--
作者：
Ballio, A;Bossa, F;Segre, AL
丁香花肽25-A是一种具有植物毒性的两亲性脂缩肽，由植物病原细菌假单胞菌的一些分离物产生，含有25个氨基酸残基。你好以前的论文报道了它的共价结构和它的一些生物学性质。本文报道了其氨基酸组成的立体化学、二维核磁共振谱和NOE数据的完整解释，并对其在植物中的作用进行了研究。在水溶液中，胰高肽素25-A的构象包括三个不同的结构区域，这些区域被刚性的2，3-二氧-2-氨基丁酸残基中断：残基2至6的环，8至15的螺旋区，和18至25的内酯环。的内酯部分的三维结构是非常相似的两个先前研究的生物活性lipodepsinonapeptides。初步的圆二色性证据的构象变化，在溶液中的三氟乙醇，它模拟膜样环境，也有报道。
Syringopeptin 25-A is a phytotoxic amphiphilic lipodepsipeptide containing 25 amino acid residues, produced by some isolates of the plant pathogenic bacterium Pseudomonas syringae pv. syringae. Previous papers have reported its covalent structure and some of its biological properties. Attention has now been directed to define its conformation in solution, a structural feature regarded as important for understanding its possible role in the bacterial colonization of host plants, acid its toxic action on the plant cell.Here we report the stereochemistry of its amino acid components, the complete interpretation of the two-dimensional NMR spectra and NOE data, and finally the structure obtained by computer simulations applying distance geometry and molecular dynamics procedures.The conformation of syringopeptin 25-A in aqueous solution includes three different structural regions interrupted by rigid 2,3-dehydro-2-aminobutyric acid residues: a loop from residue 2 to 6, a helicoidal zone from 8 to 15, and the lactone ring from 18 to 25. The three-dimensional structure of the lactone moiety is very similar to that of two previously studied bioactive lipodepsinonapeptides. Preliminary circular dichroism evidence of conformational variations in solution of trifluoroethanol, which simulates a membrane-like environment, are also reported.