1TQH

Covalent Reaction intermediate Revealed in Crystal Structure of the Geobacillus stearothermophilus Carboxylesterase Est30

1TQH の概要

• エントリーDOI: 10.2210/pdb1tqh/pdb
• 分子名称: Carboxylesterase precursor, SULFATE ION, PROPYL ACETATE, ... (4 entities in total)
• 機能のキーワード: carboxylesterase, tetrahedral intermediate, alpha/beta hydrolase, hydrolase
• 由来する生物種: Geobacillus stearothermophilus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 28715.73

構造登録者

Liu, P.,Wang, Y.F.,Ewis, H.E.,Abdelal, A.T.,Lu, C.D.,Harrison, R.W.,Weber, I.T. (登録日: 2004-06-17, 公開日: 2004-09-28, 最終更新日: 2024-11-06)

主引用文献

Liu, P.,Wang, Y.F.,Ewis, H.E.,Abdelal, A.T.,Lu, C.D.,Harrison, R.W.,Weber, I.T.
Covalent reaction intermediate revealed in crystal structure of the Geobacillus stearothermophilus carboxylesterase Est30.
J.Mol.Biol., 342:551-561, 2004

PubMed Abstract: Est30 is a thermophilic carboxylesterase cloned from Geobacillus stearothermophilus that showed optimal hydrolysis of esters with short acyl chains at 70 degrees C. Est30 is a member of a new family of carboxylesterases with representatives in other Gram-positive bacteria. The crystal structure has been determined at 1.63A resolution using multiple anomalous dispersion data. The two-domain crystal structure showed a large domain with a modified alpha/beta hydrolase core including a seven, rather than an eight-stranded beta sheet, and a smaller cap domain comprising three alpha helices. The catalytic triad consists of residues Ser94, Asp193, and His223. A 100Da tetrahedral ligand was observed to be covalently bound to the side-chain of Ser94. The propyl acetate ligand represents the first tetrahedral intermediate in the reaction mechanism. Therefore, this Est30 crystal structure will help understand the mode of action of all enzymes in the serine hydrolase superfamily.

PubMed: 15327954
DOI: 10.1016/j.jmb.2004.06.069

実験手法

X-RAY DIFFRACTION (1.63 Å)