Czub Mateusz P, Zhang Brian, Chiarelli M Paul, Majorek Karolina A, Joe Layton, Porebski Przemyslaw J, Revilla Alina, Wu Weiming, Becker Daniel P, Minor Wladek, Kuhn Misty L
Department of Molecular Physiology and Biological Physics , University of Virginia , Charlottesville , Virginia 22908 , United States.
Center for Structural Genomics of Infectious Diseases (CSGID) , University of Virginia , 1340 Jefferson Park Avenue , Charlottesville , Virginia 22908 , United States.
Biochemistry. 2018 Dec 26;57(51):7011-7020. doi: 10.1021/acs.biochem.8b00946. Epub 2018 Dec 12.
Deeper exploration of uncharacterized Gcn5-related N-acetyltransferases has the potential to expand our knowledge of the types of molecules that can be acylated by this important superfamily of enzymes and may offer new opportunities for biotechnological applications. While determining native or biologically relevant in vivo functions of uncharacterized proteins is ideal, their alternative or promiscuous in vitro capabilities provide insight into key active site interactions. Additionally, this knowledge can be exploited to selectively modify complex molecules and reduce byproducts when synthetic routes become challenging. During our exploration of uncharacterized Gcn5-related N-acetyltransferases from Pseudomonas aeruginosa, we identified such an example. We found that the PA3944 enzyme acetylates both polymyxin B and colistin on a single diaminobutyric acid residue closest to the macrocyclic ring of the antimicrobial peptide and determined the PA3944 crystal structure. This finding is important for several reasons. (1) To the best of our knowledge, this is the first report of enzymatic acylation of polymyxins and thus reveals a new type of substrate that this enzyme family can use. (2) The enzymatic acetylation offers a controlled method for antibiotic modification compared to classical promiscuous chemical methods. (3) The site of acetylation would reduce the overall positive charge of the molecule, which is important for reducing nephrotoxic effects and may be a salvage strategy for this important class of antibiotics. While the physiological substrate for this enzyme remains unknown, our structural and functional characterization of PA3944 offers insight into its unique noncanonical substrate specificity.
对未表征的Gcn5相关N - 乙酰转移酶进行更深入的探索,有可能扩展我们对可被这一重要酶超家族酰化的分子类型的认识,并可能为生物技术应用提供新的机会。虽然确定未表征蛋白质的天然或生物学相关的体内功能是理想的,但它们在体外的替代或混杂能力能为关键活性位点相互作用提供见解。此外,当合成路线具有挑战性时,这些知识可用于选择性修饰复杂分子并减少副产物。在我们对铜绿假单胞菌中未表征的Gcn5相关N - 乙酰转移酶的探索过程中,我们发现了这样一个例子。我们发现PA3944酶在抗菌肽大环最接近的单个二氨基丁酸残基上使多粘菌素B和粘菌素乙酰化,并确定了PA3944的晶体结构。这一发现具有几个重要意义。(1)据我们所知,这是多粘菌素酶促酰化的首次报道,因此揭示了该酶家族可利用的一种新型底物。(2)与传统的混杂化学方法相比,酶促乙酰化提供了一种可控的抗生素修饰方法。(3)乙酰化位点会降低分子的整体正电荷,这对于降低肾毒性作用很重要,并且可能是这类重要抗生素的一种挽救策略。虽然该酶的生理底物仍然未知,但我们对PA3944的结构和功能表征为其独特的非经典底物特异性提供了见解。