4g4k

Structure of the Staphylococcus aureus AgrA LytTR Domain

spinqualitylabelsall models 4g4k, resolution 1.52Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4g4k is a 2 chain structure with sequence from Staphylococcus aureus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: GOL Related: 3bs1 Gene: agr, agrA (Staphylococcus aureus) Resources: FirstGlance, OCA, RCSB, PDBsum Function [AGRA_STAAU] Required for high-level post-exponential phase expression of a series of secreted proteins. Publication Abstract from PubMed The AgrA transcription factor regulates the quorum-sensing response in Staphylococcus aureus, controlling the production of hemolysins and other virulence factors. AgrA binds to DNA via its C-terminal LytTR domain, a domain not found in humans but common in many pathogenic bacteria, making it a potential target for antimicrobial development. We have determined the crystal structure of the apo AgrA LytTR domain and screened a library of 500 fragment compounds to find inhibitors of AgrA DNA binding activity. Using nuclear magnetic resonance, the binding site for five compounds has been mapped to a common locus at the C-terminal end of the LytTR domain, a site known to be important for DNA binding activity. Three of these compounds inhibit AgrA DNA binding. These results provide the first evidence that LytTR domains can be targeted by small organic compounds. Identification of a Hydrophobic Cleft in the LytTR Domain of AgrA as a Locus for Small Molecule Interactions That Inhibit DNA Binding.,Leonard PG, Bezar IF, Sidote DJ, Stock AM Biochemistry. 2012 Dec 18;51(50):10035-43. doi: 10.1021/bi3011785. Epub 2012 Dec , 3. PMID:23181972 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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