4tqx

Molecular Basis of Streptococcus mutans Sortase A Inhibition by Chalcone.

spinqualitylabelsall models 4tqx, resolution 1.37Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4tqx is a 1 chain structure with sequence from Streptococcus mutans. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 1.37Å Ligands: ACY, PG4, SO4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q8CM62_STRMG Publication Abstract from PubMed 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. Molecular basis of Streptococcus mutans sortase A inhibition by the flavonoid natural product trans-chalcone.,Wallock-Richards DJ, Marles-Wright J, Clarke DJ, Maitra A, Dodds M, Hanley B, Campopiano DJ Chem Commun (Camb). 2015 Jun 16;51(52):10483-5. doi: 10.1039/c5cc01816a. PMID:26029850 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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