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Structural Insights into a Novel Interkingdom Signaling Circuit by Cartography of the Ligand-Binding Sites of the Homologous Quorum Sensing LuxR-Family

机译:通过同源群体感应LuxR家族的配体结合位点的制图对新型interkingdom信号回路的结构性见解。

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摘要

Recent studies have identified a novel interkingdom signaling circuit, via plant signaling molecules, and a bacterial sub-family of LuxR proteins, bridging eukaryotes and prokaryotes. Indeed pivotal plant-bacteria interactions are regulated by the so called Plant Associated Bacteria (PAB) LuxR solo regulators that, although closely related to the quorum sensing (QS) LuxR family, do not bind or respond to canonical quorum sensing N-acyl homoserine lactones (AHLs), but only to specific host plant signal molecules. The large body of structural data available for several members of the QS LuxR family complexed with different classes of ligands (AHLs and other compounds), has been exploited to dissect the cartography of their regulatory domains through structure-based multiple sequence alignments, structural superimposition and a comparative analysis of the contact residues involved in ligand binding. In the absence of experimentally determined structures of members of the PAB LuxR solos subfamily, an homology model of its prototype OryR is presented, aiming to elucidate the architecture of its ligand-binding site. The obtained model, in combination with the cartography of the regulatory domains of the homologous QS LuxRs, provides novel insights into the 3D structure of its ligand-binding site and unveils the probable molecular determinants responsible for differences in selectivity towards specific host plant signal molecules, rather than to canonical QS compounds.
机译:最近的研究已经通过植物信号分子和LuxR蛋白的细菌亚家族,桥接真核生物和原核生物确定了一种新型的信号传导通路。实际上,关键的植物-细菌相互作用是由所谓的植物相关细菌(PAB)LuxR单独调节因子调节的,尽管与群体感应(QS)LuxR家族密切相关,但它们不结合或响应经典的群体感应N-酰基高丝氨酸内酯。 (AHL),但仅针对特定的宿主植物信号分子。 QS LuxR家族的几个成员与不同种类的配体(AHL和其他化合物)复合的大量结构数据可用于通过基于结构的多序列比对,结构叠加和分离来剖析其调控域的作图法。参与配体结合的接触残基的比较分析。在没有实验确定的PAB LuxR独居亚科成员结构的情况下,提出了其原型OryR的同源性模型,旨在阐明其配体结合位点的结构。所获得的模型与同源QS LuxRs调控域的制图相结合,提供了对其配体结合位点的3D结构的新颖见解,并揭示了可能的分子决定因素,这些因素决定了对特定宿主植物信号分子选择性的差异,而不是规范的QS化合物。

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