2UY2

ScCTS1_apo crystal structure

2UY2 の概要

• エントリーDOI: 10.2210/pdb2uy2/pdb
• 関連するPDBエントリー: 2UY3 2UY4 2UY5
• 分子名称: ENDOCHITINASE, GLYCEROL (3 entities in total)
• 機能のキーワード: carbohydrate metabolism, polysaccharide degradation, glycoprotein, chitin-binding, chitin degradation, cazy, hydrolase, glycosidase
• 由来する生物種: SACCHAROMYCES CEREVISIAE (BAKER'S YEAST)
• 細胞内の位置: Secreted: P29029
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 31714.42

構造登録者

Hurtado-Guerrero, R.,Van Aalten, D.M.F. (登録日: 2007-04-02, 公開日: 2007-04-24, 最終更新日: 2024-11-06)

主引用文献

Hurtado-Guerrero, R.,Van Aalten, D.M.F.
Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14:589-, 2007

PubMed Abstract: Chitinases hydrolyse the beta(1,4)-glycosidic bonds of chitin, an essential fungal cell wall component. Genetic data on a subclass of fungal family 18 chitinases have suggested a role in cell wall morphology. Specific inhibitors of these enzymes would be useful as tools to study their role in cell wall morphogenesis and could possess antifungal properties. Here, we describe the crystallographic structure of a fungal "plant-type" family 18 chitinase, that of Saccharomyces cerevisiae CTS1. The enzyme is active against 4-methylumbelliferyl chitooligosaccharides and displays an unusually low pH optimum for activity. A library screen against ScCTS1 yielded hits with Ki 's as low as 3.2 microM. Crystal structures of ScCTS1 in complex with inhibitors from three series reveal striking mimicry of carbohydrate substrate by small aromatic moieties and a pocket that could be further exploited in optimization of these inhibitors.

PubMed: 17524989
DOI: 10.1016/J.CHEMBIOL.2007.03.015

実験手法

X-RAY DIFFRACTION (1.6 Å)