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浙江大学学报（农业与生命科学版）
Journal of Zhejiang University: Agric. & Life Sci.  2011, Vol. 37 Issue (4): 399-406    DOI: 10.3785/j.issn.1008-9209.2011.04.007
Biological sciences & biotechnology     
Study on β-momorcharin molecular modeling
ZHOU Xiao-dong,SHEN Fu-bing,ZHENG Jue-cun
School of Laboratory Medicine , Chengdu Medical College , Chengdu 610083 , China
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Abstract  The amino acid composition and hydrophilism and hydrophobicity of β‐momorcharin were analyzed by DNAMAN software , and its basic features , secondary and tertiary structures , a coiled coil area and a PEST sequence were predicted by bioinformatics online websites ,and the surface potential and accessibility were analysed by bioinformatics software , then the structural quality analysis and detection evaluation on the modeling result were carried out by establishing a Ramachandran graph . The result showed that the β‐momorcharin comprised 249 amino acids and had isoelectric points of 9.19, and the hydrophilic area and the hydrophobic area were distributed in a staggered manner ; the β‐momorcharin belonged to stable protein as the extinction coefficient thereof was 280 nm , and the average hydrophilism was -0.138; the secondary structure comprised 42.57% of α‐helix , 20.48% of extended strand and 36.95% of irregular coil ; there were three sections of coiled coil areas , five sections of non‐PEST sequences , and no stable dipolymer or tripolymer coiled coil ; the space distribution of tertiary structure ,surface potential and accessibility of β‐momorcharin were modeled , and the Ramachandran graph detection showed that the structure of the model met the rules of stereochemistry .

Published: 20 July 2011
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ZHOU Xiao-dong
SHEN Fu-bing
ZHENG Jue-cun
Cite this article:

ZHOU Xiao-dong,SHEN Fu-bing,ZHENG Jue-cun. Study on β-momorcharin molecular modeling. Journal of Zhejiang University: Agric. & Life Sci., 2011, 37(4): 399-406.

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http://www.zjujournals.com/agr/10.3785/j.issn.1008-9209.2011.04.007     OR     http://www.zjujournals.com/agr/Y2011/V37/I4/399


β-苦瓜蛋白质分子结构模建研究

使用DNAMAN 软件分析β‐苦瓜蛋白质氨基酸组成,亲水、疏水性,用生物信息学在线网站预测其基本特性,二、三级结构,卷曲螺旋区域,PEST 序列,并用生物信息学软件分析其表面电位、可及性,建立Ramachandran 图对模建结果进行结构质量分析与检测评价.结果发现:β‐苦瓜蛋白质有２４９ 个氨基酸,等电点9.19 ,亲水区域和疏水区域交错分布;消光系数为２８０ nm ,属于稳定蛋白质,平均亲水性是-0.138;二级结构中α‐螺旋占42.57%,延伸链占20.48%,不规则卷曲占36.95%;分布着３ 段卷曲螺旋区域,存在５ 段非PEST 序列,无稳定二聚体、三聚体卷曲螺旋;β‐苦瓜蛋白质的三级结构、表面电位和可及性的空间分布得到了模建,Ramachandran 图检测表明此模型结构符合立体化学规则.
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