眼镜王蛇蛇毒神经毒素CM-11三级结构的确定  

Three Dimensional Solution Structure of Neurotoxin CM11 from the Ophiophagus hannah

作　　者：刘卫东[1] 裴奉奎[1] 刘爱琢[1] 庞玉玺[1] 

机构地区：[1]中国科学院长春应用化学研究所应用谱学开放实验室

出　　处：《生物化学与生物物理学报》1998年第3期257-262,共6页

基　　金：国家自然科学基金

摘　　要：在完成了眼镜王蛇毒液抽提物ＣＭ－１１的残基质子谱峰归属和二级结构的判定后，利用１Ｈ的ＮＯＥＳＹ谱和ＤＱＦ－ＣＯＳＹ谱选取了距离约束、测定了Φ角和χ１，并做了部分β１Ｈ的立体归属。利用度量矩阵距离几何法计算了其三维空间结构，并进行了结构的优化。同一个系列中挑选的１２个低能分子结构中，骨架的ＲＭＳＤ为０．１４ｎｍ，所有重原子的ＲＭＳＤ为０．２０ｎｍ，所有的距离约束偏差不超过０．０５ｎｍ。The Ophiophagus hannah (King Cobra) neurotoxin CM11 is a small protein with 72 amino acid residues. Based on complete assignments of 1HNMR resonances and determination of secondary structures of CM11, 349 distance and 27 dihedral angle constraints including 19 φ′s and 8 χ1′s were collected from NOESY and DQFCOSY, and the chemical stereospecific assignment of β1H was partially achieved. Twelve structures with lower energy was obtained via metric matrix distance geometry and refinement with simulated annealing. These structures have a low RMSD of 0.14 nm for backbone atoms and 0.20 nm for heavy atoms, with no distance constraint violation more than 0.05 nm, and no dihedral angle violation more than 3°.

关 键 词：眼镜王蛇 神经毒素 距离几何法 三级结构 

分 类 号：R991[医药卫生—毒理学] R996.3[医药卫生—药学]