Histidine kinase (YycG) protein of Streptococcus pneumoniae: Homology modeling and analysis

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	Histidine kinase (YycG) protein of Streptococcus pneumoniae: Homology modeling and analysis
	Nan Li 1; Fei Wang 2; Wenchun Xu 1; Hong Wang 1; Xiaomin Luo2 ; Weiliang Zhu2 ; Yibing Yin 1; Xuemei Zhang 1
刊名	Chinese Journal of Biotechnology
	2009
卷号	25 期号:2 页码:207-214
关键词	Streptococcus pneumoniae two-component system histidine kinase homology modeling molecular docking
ISSN号	1000-3061
其他题名	肺炎链球菌双组份系统中的组氨酸激酶(YycG)的同源模建与分析
文献子类	Article
英文摘要	To construct a three-dimensional (3D) model of histidine kinase (HK) YycG protein in Streptococcus pneumoniae and to investigate the interaction between YycG and its substrate ADP for the purpose of providing a theoretical basis for YycG selective inhibitor discovery, we constructed a 3D model of YycG protein by homology modeling, and assessed the reliability of the model using ProCheck and Profile_3D software. Besides, the active-site cavity of YycG and the residues key for substrate interaction were analyzed by Autodock4.0. Sequence alignment indicated that the YycG of 5. pneumoniae was homologous to that of Thermotoga maritima. The constructed 3D model of YycG adopted a similar folding pattern to the template and the two matched well. The conservative amino acids in the substrate-binding pocket, such as Asnl45, Asnl49 and Lysl52, as well as the hydrophobic residues at the bottom of the pocket played important role in binding and hydrolyzing substrate ADP. We have successfully constructed a reliable model of YycG protein. The model can be used as a starting point for designing antibacterial drugs.
资助项目	国家自然科学基金[00000000] ; 重庆市自然科学基金[00000000]
WOS研究方向	General & Internal Medicine (provided by Clarivate Analytics)
语种	中文
CSCD记录号	CSCD:3616561
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/268018]
专题	药物发现与设计中心
作者单位	1.Chongqing University of Medical Science, Chongqing 400016.; 2.Design Centre,Shanghai Institute of Material Medical, Graduate School of Chinese Academy of Sciences, Shanghai 201203, China.
推荐引用方式 GB/T 7714	Nan Li,Fei Wang,Wenchun Xu,et al. Histidine kinase (YycG) protein of Streptococcus pneumoniae: Homology modeling and analysis[J]. Chinese Journal of Biotechnology,2009,25(2):207-214.
APA	Nan Li.,Fei Wang.,Wenchun Xu.,Hong Wang.,Xiaomin Luo.,...&Xuemei Zhang.(2009).Histidine kinase (YycG) protein of Streptococcus pneumoniae: Homology modeling and analysis.Chinese Journal of Biotechnology,25(2),207-214.
MLA	Nan Li,et al."Histidine kinase (YycG) protein of Streptococcus pneumoniae: Homology modeling and analysis".Chinese Journal of Biotechnology 25.2(2009):207-214.