Citation: FAN Di, LIU Zhen-Ming, JIN Hong-Wei, ZHANG Liang-Ren. Classification of Coenzyme-A Binding Proteins Based on Co-Factor Binding Modes[J]. Acta Physico-Chimica Sinica, ;2011, 27(05): 1223-1231. doi: 10.3866/PKU.WHXB20110439 shu

Classification of Coenzyme-A Binding Proteins Based on Co-Factor Binding Modes

1.
State Key Laboratory of Natural and Biomimetic Drugs, School of Pharmaceutical Sciences, Peking University, Beijing 100191, P. R. China

Received Date: 17 December 2010
Available Online: 18 March 2011
Fund Project: 重大新药创制国家科技重大专项(2009ZX09501-002) (2009ZX09501-002)国家自然科学基金(20802006)资助项目 (20802006)

This study developed a mutual recognition of the proteins based on molecular classification, data mining strategies and the statistical clustering method, which was applied to study and classify clusters of coenzyme-A (CoA) binding proteins with their binding patterns extracted by using Pocket1.0 program. Several strategies have been evaluated for the accuracy of the system analysis and the two-step clustering method has been shown to be the best. The results revealed that the known CoA binding proteins can be clustered into three groups by using this approach. The designed classification coefficient was used effectively to identify the critical features for classification. The results show that both hydrogen bonds and hydrophobic interactions are important in all three clusters and that quite a few important residues related to biological activities are involved in the formation of hydrogen bonds. The classification of these interactions and the discovery of the characteristics and differences between the three clusters will have some utility for the design of specific a nists and anta nists.
- Coenzyme-A,
- Protein classification,
- Binding mode,
- Cluster analysis,
- Pantetheine
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