Common semi-open conformations of Mg2+-free Ras, Rho, Rab, Arf, and Ran proteins combined with GDP and their similarity with GEF-bound forms 

作成者 Mori, Kenichi, 畑, 昌之, 根矢, 三郎, 星野, 忠次
作成者 (ヨミ) モリ, ケンイチ, ハタ, マサユキ, ネヤ, サブロウ, ホシノ, チュウジ
作成者の別表記 Hata, Masayuki, Neya, Saburo, Hoshino, Tyuji
キーワード等 small G-protein, Mg2+ ion, GEF, MD simulation, Mg2+-free conformation
日本十進分類法 (NDC) 464
内容 A computational study was performed on the Mg2+-free conformations of the small guanine nucleotidebinding proteins (GNBPs): Ras, Rho, Rab, Arf, and Ran, which were complexed with GDP. Molecular dynamics (MD) simulation was executed for each complex for the duration of 3.0 ns to investigate the effects of Mg2+ ions on the GNBPs' structure. The results indicated that all Mg2+-free GNBPs formed a groove between the switch region and the nucleotide-binding site. In some GNBP families, the release of Mg2+ was reported to play an important role in binding the guanine nucleotide-exchanging factor (GEF) promoting the GDP/GTP exchange reaction. Interestingly, the grooves, which appeared in the MD simulations, were similar to the grooves experimentally observed in the GNBP-GEF complex. We also calculated the Mg2+-bound GNBPs to compare with the Mg2+-free forms. No groove was observed in the Mg2+-bound GNBPs. These results demonstrated a regulatory role of Mg2+ ion to prepare a template for the GEF binding. Moreover, the results suggested that the release of Mg2+ ion lead to the GEF-GNBP binding.
コンテンツの種類 雑誌掲載論文 Journal Article
DCMI資源タイプ text
掲載誌情報 Journal of the American Chemical Society Vol.127 no.43 page.15127-15137 (20051005)
言語 日本語

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