Department of Biochemistry and Biophysics, University of Kalyani, Kalyani, Nadia, 741235, India.
J Mol Model. 2021 Feb 8;27(3):76. doi: 10.1007/s00894-021-04701-8.
Pseudomonas aeruginosa is an opportunistic human pathogen. It causes secondary infections in patients suffering from cancer and other immunological disorders. The pathogenicity of the organism is dependent on the ability of the organism to code for hydrogen cyanide (HCN), the synthesis of which is mediated by HCN synthase enzyme. HCN synthase is encoded by hcnABC operon. The transcription of the operon is controlled by a complex interplay between the proteins LasR and RhlR. Till date, there is no report that deals with the binding interactions of the RhlR-LasR heterodimer with the promoter DNA region of the hcnABC operon. We, for the first time, tried to analyse the binding modes of the RhlR-LasR heterodimer with the promoter DNA regions. From our work, we could predict the importance of a specific amino acid residue Phe214 from RhlR which might be considered to have the desired specificity to bind to the promoter DNA. Therefore, the amino acid Phe214 may be targeted to develop suitable ligands to eradicate the spread of secondary infections by Pseudomonas aeruginosa.
铜绿假单胞菌是一种机会性病原体。它会在患有癌症和其他免疫性疾病的患者中引发继发性感染。该生物体的致病性取决于其编码氰化氢(HCN)的能力,HCN 的合成是由 HCN 合酶酶介导的。HCN 合酶由 hcnABC 操纵子编码。操纵子的转录受 LasR 和 RhlR 蛋白之间复杂的相互作用控制。迄今为止,尚无报道涉及 RhlR-LasR 异二聚体与 hcnABC 操纵子启动子 DNA 区域的结合相互作用。我们首次尝试分析 RhlR-LasR 异二聚体与启动子 DNA 区域的结合模式。通过我们的工作,我们可以预测 RhlR 中特定氨基酸残基 Phe214 的重要性,该残基可能被认为具有与启动子 DNA 结合的所需特异性。因此,氨基酸 Phe214 可能是靶向开发合适配体以消除铜绿假单胞菌引发的继发性感染传播的目标。