3f8f

Crystal structure of multidrug binding transcriptional regulator LmrR complexed with Daunomycin

spinqualitylabelsall models 3f8f, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3f8f is a 2 chain structure with sequence from Laclm. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: DM1 Related: 3f8b, 3f8c Gene: lmrR (LACLM) Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed LmrR is a PadR-related transcriptional repressor that regulates the production of LmrCD, a major multidrug ABC transporter in Lactococcus lactis. Transcriptional regulation is presumed to follow a drug-sensitive induction mechanism involving the direct binding of transporter ligands to LmrR. Here, we present crystal structures of LmrR in an apo state and in two drug-bound states complexed with Hoechst 33342 and daunomycin. LmrR shows a common topology containing a typical beta-winged helix-turn-helix domain with an additional C-terminal helix involved in dimerization. Its dimeric organization is highly unusual with a flat-shaped hydrophobic pore at the dimer centre serving as a multidrug-binding site. The drugs bind in a similar manner with their aromatic rings sandwiched in between the indole groups of two dimer-related tryptophan residues. Multidrug recognition is facilitated by conformational plasticity and the absence of drug-specific hydrogen bonds. Combined analyses using site-directed mutagenesis, fluorescence-based drug binding and protein-DNA gel shift assays reveal an allosteric coupling between the multidrug- and DNA-binding sites of LmrR that most likely has a function in the induction mechanism. Structure of the transcriptional regulator LmrR and its mechanism of multidrug recognition.,Madoori PK, Agustiandari H, Driessen AJ, Thunnissen AM EMBO J. 2008 Dec 18. PMID:19096365 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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