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2CEQ

Beta-glycosidase from Sulfolobus solfataricus in complex with glucoimidazole

2CEQ の概要
エントリーDOI10.2210/pdb2ceq/pdb
関連するPDBエントリー1GOW 1UWI 1UWQ 1UWR 1UWS 1UWT 1UWU 2CER
分子名称BETA-GALACTOSIDASE, ACETATE ION, GLUCOIMIDAZOLE, ... (4 entities in total)
機能のキーワードarchaeon, family 1, glycoside hydrolase, glucoimidazole, glycosidase, hydrolase
由来する生物種SULFOLOBUS SOLFATARICUS
タンパク質・核酸の鎖数2
化学式量合計114216.41
構造登録者
Gloster, T.M.,Moracci, M.,Vasella, A.,Davies, G.J. (登録日: 2006-02-10, 公開日: 2006-09-27, 最終更新日: 2023-12-13)
主引用文献Gloster, T.M.,Roberts, S.,Perugino, G.,Rossi, M.,Moracci, M.,Panday, N.,Terinek, M.,Vasella, A.,Davies, G.J.
Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45:11879-, 2006
Cited by
PubMed Abstract: Inhibition of glycosidases has great potential in the quest for highly potent and specific drugs to treat diseases such as diabetes, cancer, and viral infections. One of the most effective ways of designing such compounds is by mimicking the transition state. Here we describe the structural, kinetic, and thermodynamic dissection of binding of two glucoimidazole-derived compounds, which are among the most potent glycosidase inhibitors reported to date, with two family 1 beta-glycosidases. Provocatively, while inclusion of the phenethyl moiety improves binding by a factor of 20-80-fold, this does not appear to result from better noncovalent interactions with the enzyme; instead, improved affinity may be derived from significantly better entropic contributions to binding displayed by the phenethyl-substituted imidazole compound.
PubMed: 17002288
DOI: 10.1021/BI060973X
主引用文献が同じPDBエントリー
実験手法
X-RAY DIFFRACTION (2.14 Å)
構造検証レポート
Validation report summary of 2ceq
検証レポート(詳細版)ダウンロードをダウンロード

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件を2025-07-09に公開中

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