Identification of the ligand binding sites on the molecular surface of proteins

Kengo Kinoshita, Haruki Nakamura

研究成果: Article査読

72 被引用数 (Scopus)

抄録

Identification of protein biochemical functions based on their three-dimensional structures is now required in the post-genome-sequencing era. Ligand binding is one of the major biochemical functions of proteins, and thus the identification of ligands and their binding sites is the starting point for the function identification. Previously we reported our first trial on structure-based function prediction, based on the similarity searches of molecular surfaces against the functional site database. Here we describe the extension of our first trial by expanding the search database to whole heteroatom binding sites appearing within the Protein Data Bank (PDB) with the new analysis protocol. In addition, we have determined the similarity threshold line, by using 10 structure pairs with solved free and complex structures. Finally, we extensively applied our method to newly determined hypothetical proteins, including some without annotations, and evaluated the performance of our methods.

本文言語English
ページ(範囲)711-718
ページ数8
ジャーナルProtein Science
14
3
DOI
出版ステータスPublished - 2005 3月
外部発表はい

ASJC Scopus subject areas

  • 生化学
  • 分子生物学

フィンガープリント

「Identification of the ligand binding sites on the molecular surface of proteins」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル