4TQX

Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.

4TQX の概要

• エントリーDOI: 10.2210/pdb4tqx/pdb
• 分子名称: Sortase, TETRAETHYLENE GLYCOL, ACETIC ACID, ... (5 entities in total)
• 機能のキーワード: sortase, inhibitor, gram positive, cell wall, hydrolase
• 由来する生物種: Streptococcus mutans
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23094.12

構造登録者

Wallock-Richards, D.J.,Marles-Wright, J.,Clarke, D.J.,Maitra, A.,Dodds, M.,Hanley, B.,Campopiano, D.J. (登録日: 2014-06-12, 公開日: 2015-05-20, 最終更新日: 2023-12-20)

主引用文献

Wallock-Richards, D.J.,Marles-Wright, J.,Clarke, D.J.,Maitra, A.,Dodds, M.,Hanley, B.,Campopiano, D.J.
Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.
Chem.Commun.(Camb.), 51:10483-10485, 2015

PubMed Abstract: Sortase A (SrtA) from Gram positive pathogens is an attractive target for inhibitors due to its role in the attachment of surface proteins to the cell wall. We found that the plant natural product trans-chalcone inhibits Streptococcus mutans SrtA in vitro and also inhibited S. mutans biofilm formation. Mass spectrometry revealed that the trans-chalcone forms a Michael addition adduct with the active site cysteine. The X-ray crystal structure of the SrtA H139A mutant provided new insights into substrate recognition by the sortase family. Our study suggests that chalcone flavonoids have potential as sortase-specific oral biofilm inhibitors.

PubMed: 26029850
DOI: 10.1039/c5cc01816a

実験手法

X-RAY DIFFRACTION (1.37 Å)