Department of Bioinformatics, Alagappa University, Karaikudi, Tamil Nadu, India.
ICAR-National Institute of Veterinary Epidemiology and Disease Informatics, Yelahanka, Bengaluru, India.
J Biomol Struct Dyn. 2020 Sep;38(15):4418-4431. doi: 10.1080/07391102.2019.1682046. Epub 2019 Oct 29.
Complete functional annotations of proteins are essential to understand the role and mechanisms in pathogenesis. Aminoglycoside nucleotidyltransferases are the subclasses of aminoglycosides modifying enzymes conferring resistance to organisms. Insight into the structural and functional understanding of nucleotidyltransferase family protein provides vital information to combat pathogenesis. Phylogenetic analysis is employed to identify the evolutionary significance and common motif's present among the homologs of nucleotidyltransferase family protein. Structure, sequence based approaches and molecular docking were implemented to predict the exact function of the protein. Wide distribution of the nucleotidyltransferase family protein in gram-positive and gram-negative organisms are evidenced from phylogenetic analysis. Five common motifs were present in all the homolog's of nucleotidyltransferase family protein. Sequence-structure based functional annotations predicts that the targeted protein function as ATP-Mg dependent streptomycin adenylyltransferase. Structural comparisons and docking studies correlate well with the identified function. The complete function of nucleotidyltransferase family protein was identified as Streptomycin adenylyltransferase and it could be targeted as a potential therapeutic target to overcome antibiotic resistance.Communicated by Ramaswamy H. SarmaAbbreviationsAACaminoglycoside acetyltransferasesAMEaminoglycoside modifying enzymeANTaminoglycoside nucleotidyltransferasesAPHaminoglycoside phosphotransferasesATPadenosine triphosphateCASTpcomputer atlas and surface topography of proteinsDUFdomains of unknown functionGlidegrid-based ligand docking with energeticHMMhidden Markov modelMASTmotif alignment and search toolMEGAmolecular evolutionary genetics analysisMEMEmultiple Em for motif elicitationMSAmultiple sequence alignmentNMPnucleoside monophosphateNTPnucleoside triphosphateNTnucleotidyltransferaseOPLSoptimized potential for liquid simulationXPextra precision.
完整的蛋白质功能注释对于理解其在发病机制中的作用和机制至关重要。氨基糖苷核苷转移酶是氨基糖苷类修饰酶的亚类，使生物体产生耐药性。深入了解核苷转移酶家族蛋白的结构和功能理解为对抗发病机制提供了重要信息。系统发生分析用于识别核苷转移酶家族蛋白同源物之间的进化意义和共同基序。结构、序列基方法和分子对接用于预测蛋白质的确切功能。从系统发生分析可以看出，核苷转移酶家族蛋白广泛分布于革兰氏阳性和革兰氏阴性生物中。在所有核苷转移酶家族蛋白的同源物中都存在 5 个共同基序。基于序列-结构的功能注释预测，目标蛋白的功能为 ATP-Mg 依赖性链霉素腺苷酰转移酶。结构比较和对接研究与鉴定的功能密切相关。核苷转移酶家族蛋白的完整功能被鉴定为链霉素腺苷酰转移酶，它可以作为一个潜在的治疗靶点，以克服抗生素耐药性。
