Acta Chimica Sinica ›› 2010, Vol. 68 ›› Issue (24): 2595-2599. Previous Articles     Next Articles

Full Papers

基于复小波能量谱的蛋白质活性位点识别新方法

田元新1,段文军1,邹小勇*,2   

  1. (1南方医科大学药学院 广州 510515)
    (2中山大学化学与化学工程学院 广州 510275)
  • 投稿日期:2009-10-29 修回日期:2010-07-31 发布日期:2010-08-27
  • 通讯作者: 邹小勇 E-mail:ceszxy@mail.sysu.edu.cn
  • 基金资助:

    国家自然科学基金 20975117;30772602

A Unique Method to Identify Protein Active Sites Based on Energy Scalogram of Complex Wavelet Transform

Tian Yuanxin1 Duan Wenjun1 Zou Xiaoyong*,2   

  1. (1 School of Pharmaceutical Sciences, Southern Medical University, Guangzhou 510515)
    (2 School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou 510275)
  • Received:2009-10-29 Revised:2010-07-31 Published:2010-08-27
  • Contact: Zou Xioa-Yong E-mail:ceszxy@mail.sysu.edu.cn

Identification of protein active sites is important to understand the function of protein and it is also crucial to the computer assistant drug design. In this paper, a unique method is presented to identify protein active sites based on time-frequency analysis by continuous wavelet transform (CWT). The numeric protein sequences are transformed by Morlet complex wavelet and protein active sites can be identified according to the energy scalogram. The results from hemoglobin and calcium binding protein indicate that the energy maximum of homologous proteins always appears in the same frequency, which is the characteristic frequency. In the energy scalogram, the time domain corresponding to characteristic frequency is the active sites of protein. The concentrated domains of energy are the critical domains of protein, which usually are conservative for homologous protein. Energy center can be utilized to identify active sites of protein. The proposed method has a potential to explore the function of protein.

Key words: wavelet energy scalogram, protein sequence, active site