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学科主题: 天然产物有机化学
题名: 孤啡肽OFQ的溶液构象研究
其他题名: Study on the solution conformation of orphanin FQ
作者: 何发虎 ; 张琪 ; 石嘉豪 ; 崔大敷 ; 吴厚铭
通讯作者: 吴厚铭
刊名: 化学学报
发表日期: 2003-01-01
卷: 61, 期:7, 页:1101-1107
收录类别: SCI
部门归属: 中国科学院上海有机化学研究所生命有机化学实验室;; 中国科学院上海生物化学和细胞生物研究所
摘要: 应用近代NMR波谱技术对孤啡肽OFQ及其片段OFQ8~17的溶液结构进行了比较研究测定了孤啡肽OFQ和片段OFQ8~17。在H20和TFE/H20两种溶剂条件下的2D。DQF—COSY,2D—TOCSY,2D—NOESY(ROESY)谱,完成了它们氨基酸残基的自旋系统识别和序列特异性归属,获得分子中质子化学位移的完全归属,根据NOE特征和主链偶合常数等结构参数确定它们的特征二级结构,以NOE提供的距离约束,进行了距离几何,分子力学和分子动力学模拟,得到了孤啡肽OFQ在不同溶剂条件下的溶液结构.在H20溶剂中,孤啡肽OFQ在G3-F4-G6处形成一复合型转角结构.在TFE/H20溶剂中,OFQ 整个分子形成两亲性α—螺旋结构.而孤啡肽片段OFQ8~17在这两种环境中均为伸展的无规结构.孤啡肽OFQ在类似膜环境 TFE/H2O)下的α-螺旋结构可能为其活性构象.
英文摘要: A comparative study on the solution conformation between OFQ and its fragment OFQ8~17 was carried out using 2D NMR experiments both in H^2O and TFE/H^2O. After completion of amino acid spin system recognition and the sequence-specific assignments, the regular secondary structure of OFQ and OFQ8~17 in different solvents were deduced from NOE pattems, and backbone coupling constants (3JHN-Ha). The solution structure of OFQ both in H^2O and TFE/H^2O was obtained using distance constraints derived from NOE cross peaks and dihedral angles constraints and was refined by DG, RMD and SA calculations. The structural feature of OFQ in water was characterized by a mixing type tum in segment of Gly3-Phe4-The5-Gly6 at 278 K. While the conformation of OFQ was idenfitied as an amphipathia α-helix in TFE/H^2O. However, OFQ8~17 demonstrated random conformation both in water and in TFE/H^2O. These results revealed that OFQ assumes amhipathic helical conformation in the membrane-like circumstances involved in the interaction with the receptor
语种: 中文
内容类型: 期刊论文
URI标识: http://ir.sioc.ac.cn/handle/331003/17321
Appears in Collections:上海有机化学研究所_期刊论文

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Recommended Citation:
何发虎,张琪,石嘉豪,等. 孤啡肽OFQ的溶液构象研究[J]. 化学学报,2003,61(7):1101-1107.
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