[1]袁宇熹,张同武,陈智山,等.苏云金杆菌Ⅰ型抗癌晶体蛋白的分子模建[J].华侨大学学报(自然科学版),2009,30(4):420-424.[doi:10.11830/ISSN.1000-5013.2009.04.0420]
　YUAN Yu-xi,ZHANG Tong-wu,CHEN Zhi-shan,et al.Molecular Modeling of Cancer Cell-Killing Crystal Protein Parasporin-1 from Bacillus thuringiensis[J].Journal of Huaqiao University(Natural Science),2009,30(4):420-424.[doi:10.11830/ISSN.1000-5013.2009.04.0420]
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苏云金杆菌Ⅰ型抗癌晶体蛋白的分子模建()
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《华侨大学学报（自然科学版）》[ISSN:1000-5013/CN:35-1079/N]

卷:
第30卷
期数:
2009年第4期
页码:
420-424
栏目:
出版日期:
2009-07-20

文章信息/Info

Title:
Molecular Modeling of Cancer Cell-Killing Crystal Protein Parasporin-1 from Bacillus thuringiensis
文章编号:
1000-5013(2009)04-0420-05
作者:
袁宇熹; 张同武; 陈智山; 林毅
华侨大学化工学院
Author(s):
YUAN Yu-xi;  ZHANG Tong-wu;  CHEN Zhi-shan;  LIN Yi
College of Chemical Engineering, Huaqiao University, Quanzhou 362021, China
关键词:
Ⅰ型抗癌晶体蛋白;  同源建模;  分子动力学模拟;  蛋白酶;  激活位点
Keywords:
Parasporin-1;  homology modeling;  molecular dynamics simulation;  proteinase K-digested sites
分类号:
S476.1
DOI:
10.11830/ISSN.1000-5013.2009.04.0420
文献标志码:
A
摘要:
通过同源建模,得到Ⅰ型抗癌晶体蛋白Parasporin-1的初始三维结构.经分子动力学方法优化后,利用Ramachandran Plot检测和结构匹配等方法对模型进行评价.结果显示,结构模型中的键长、键角及二面角的分布合理,与模板蛋白的主链α碳原子的均方根差值为0.537 592,在合理范围之内.此外,通过分析Paras-porin-1结构域Ⅰ中的-βloop-β结构片段,推测出第2个蛋白酶处理激活位点的位置在两个芳香族疏水性氨基酸F167与Y168之间.
Abstract:
The structure of Parasporin-1,the first cancer cell-killing crystal protein from Bacillus thuringiensis,was constructed using homology modeling,and was optimized by molecular mechanics method.The simulated structure was evaluated using Ramachandran Plot and structural matching.The distributions of bond length,bond angel,and dihedral angle were rational.The RMSD(root-mean-square deviation) value of α-carbon atom on the main chain between Parasporin-1 and model protein was 0.537 592,which was within reasonable bounds.The analysis of β-loop-β motif in Domain Ⅰ suggest that the second site digested by proteinase K were located between F167 and Y168.

参考文献/References:

[1] ROH J Y, PARK H W, JIN B R. Characterization of novel non-toxic Bacillus thuringiensis solates from Korea [J]. Letters in Applied Microbiology, 1996(4):249-252.doi:10.1111/j.1472-765X.1996.tb00076.x.
[2] MIZUKI E, OHBA M, AKAO T. Unique activity associated with non-insecticidal Bacillus thuringiensis parasporal inclusions:In vitro cell-killing action on human cancer cells [J]. Journal of Applied Microbiology, 1999(3):477-486.doi:10.1046/j.1365-2672.1999.00692.x.
[3] KITADA S, ABE Y, ITO A. Molecular identification and cytocidal action of parasporin, a protein group of novel crystal toxins targeting human cancer cells [A]. Victoria B C:Minireviews, 2005.1-8.
[4] 林毅, 张同武, 陈智山. 抗癌晶体蛋白Parasporin-2空间结构的研究 [J]. 激光生物学报, 2008(2):181-185.doi:10.3969/j.issn.1007-7146.2008.02.009.
[5] KATAYAMA H, YOKOTA H, AKAO T. Parasporin-1, a novel cytotoxic protein to human cells from non-insecticidal parasporal inclusions of Bacillus thuringiensis [J]. Journal of Biochemistry, 2005(1):17-25.
[6] KITADA S, ABE Y, SHIMADA H. Cytocidal actions of Parasporin-2, an anti-tumor crystal toxin from Bacillus thuringiensis [J]. Journal of Biological Chemistry, 2006, (36):26350-26360.

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备注/Memo

备注/Memo:
国家自然科学基金资助项目(40601046); 细胞生物学与肿瘤细胞工程教育部重点实验室开放基金资助项目(B0510011)
更新日期/Last Update: 2014-03-23