5xe9

Crystal Structure of the Complex of the Peptidase Domain of Streptococcus mutans ComA with a Small Molecule Inhibitor.

spinqualitylabelsall models 5xe9, resolution 3.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 5xe9 is a 2 chain structure with sequence from Streptococcus mutans UA159. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 3.101Å Ligands: 6CH Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function Q8DW05_STRMU Publication Abstract from PubMed The main components of the quorum-sensing system are expected to be favorable targets for drug development to combat various chronic infectious diseases. ComA of Streptococcus is an ATP-binding cassette transporter containing a peptidase domain (PEP), which is essential for the quorum-sensing signal production. Using high-throughput screening, we found a potent small molecule that suppressed the S. mutans quorum-sensing pathway through inhibition of PEP activity. The compound effectively attenuated the biofilm formation and competence development of S. mutans without inhibiting cell growth. The kinetic and structural studies with this molecule and a related compound unexpectedly revealed an allosteric site of PEP. This relatively hydrophobic site is thought to undergo large structural changes during the catalytic process. These compounds inhibit PEP activity by binding to and suppressing the structural changes of this site. These results showed that PEP is a good target for inhibitors of the Streptococcus quorum-sensing system. High-throughput Screening of Small Molecule Inhibitors of the Streptococcus Quorum-sensing Signal Pathway.,Ishii S, Fukui K, Yokoshima S, Kumagai K, Beniyama Y, Kodama T, Fukuyama T, Okabe T, Nagano T, Kojima H, Yano T Sci Rep. 2017 Jun 22;7(1):4029. doi: 10.1038/s41598-017-03567-2. PMID:28642545 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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