分子動力学法によるカイコフェロモン結合タンパク質�? ループの柔軟性の解析

Chem-Bio Informatics Journal

古明�? 勇人²  根本 直¹  上林 正巳² 

[1] 産業�?術総合研究所生物情報解析センター;産業�?術総合研究所分子細胞工学部門／計算科学部�?

关键词: Pheromone;    フェロモン;    Binding Protein;    結合タンパク質;    Flexibility;    柔軟性;    Loop;    ループ;    Molecular Dynamics;    分子動力学;    Bombyx mori;    カイコ;   

DOI  :  10.1273/cbij.2.32

学科分类：生物化学/生物物理

来源: Chem-Bio Informatics Society

【 摘 要 】

References(11)Cited-By(3)The three dimensional structure of a pheromone binding protein from Bombyx mori complexed with its substrate was determined recently [Sandler et al., Chem. Biol. 7, 143-151 (2000)]. The structure suggested that a loop formed by amino acid residues 60-69 could serve as a flexible lid into the pheromone binding pocket. To examine the above hypothesis, a molecular dynamics simulation was performed for a substrate free form of the protein starting from the crystal structure. In the simulation loop 60-69 took a conformation different from that in the substrate bound form. Also, the loop was the most flexible region of the protein. Thus, the simulation supports the hypothesis that the loop is a flexible lid.

【 授权许可】

Unknown