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Molecular modeling of the interactions of trichosantin with four substrate analogs
其他题名天花粉蛋白与四个底物类似物的相互作用的计算机模拟
Gu YJ(顾亦军); Chen WY(陈微言); Xia ZX(夏宗芗)
2000
发表期刊J. Protein Chem.
ISSN0277-8033
卷号19期号:4页码:291-297
摘要Trichosanthi cn (TCS is a ribonume- inactivating protein (RIP} that posacases N-glvcosidase activity. It inactisates ribusumes and arlests protein synthesis by removing a specific adenine from 28S rRNA. A molecular dynamics simuular dynamics simulated annealing method was applied to study the binding modes of TCS with substrate analogs, three oligonucleotides GAG, GAGA, and CGAGAG, based on the crystal structures of the stable complexes of TCS with NADPH and with the reaction produet adenine. A water molecule proposed to be responsiblefor hydrolyzine the N-glycosidic bond was included in the model. All the oligoribonucleotides can dock into the active cleft of TCAS without unfavorable contacts. The interactions of TCS with NADH were also studiedl by a molecular dynamics simulated annealing method. The interaction of TCS with NADH were also studied by a molecular dynamics simulated annealing method. The interaction energy between NADH and TCS was compared with that between NADPH and TCS. Showitng that the lack of 2'-phosphate group leads to an energy rise of 20 kcal/mol.
学科领域生命有机化学
部门归属中国科学院上海有机化学研究所生命有机国家开放实验室
收录类别SCI
语种英语
文献类型期刊论文
条目标识符http://ir.sioc.ac.cn/handle/331003/23668
专题生命有机化学国家重点实验室
通讯作者Xia ZX(夏宗芗)
推荐引用方式
GB/T 7714
Gu YJ,Chen WY,Xia ZX. Molecular modeling of the interactions of trichosantin with four substrate analogs[J]. J. Protein Chem.,2000,19(4):291-297.
APA 顾亦军,陈微言,&夏宗芗.(2000).Molecular modeling of the interactions of trichosantin with four substrate analogs.J. Protein Chem.,19(4),291-297.
MLA 顾亦军,et al."Molecular modeling of the interactions of trichosantin with four substrate analogs".J. Protein Chem. 19.4(2000):291-297.
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