title: Characterization of the interaction between Escherichia coli topoisomerase IV E subunit and an ATP competitive inhibitor.
abstract: Bacterial topoisomerase IV (ParE) is essential for DNA replication and serves as an attractive target for antibacterial drug development. The X-ray structure of the N-terminal 24 kDa ParE, responsible for ATP binding has been solved. Due to the accessibility of structural information of ParE, many potent ParE inhibitors have been discovered. In this study, a pyridylurea lead molecule against ParE of Escherichia coli (eParE) was characterized with a series of biochemical and biophysical techniques. More importantly, solution NMR analysis of compound binding to eParE provides better understanding of the molecular interactions between the inhibitor and eParE.
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Yan
authors.initials: Y
authors.lastname: Li
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Ying Lei
authors.initials: YL
authors.lastname: Wong
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Fui Mee
authors.initials: FM
authors.lastname: Ng
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Boping
authors.initials: B
authors.lastname: Liu
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Yun Xuan
authors.initials: YX
authors.lastname: Wong
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Zhi Ying
authors.initials: ZY
authors.lastname: Poh
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Siew Wen
authors.initials: SW
authors.lastname: Then
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Michelle Yueqi
authors.initials: MY
authors.lastname: Lee
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Hui Qi
authors.initials: HQ
authors.lastname: Ng
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Alvin W
authors.initials: AW
authors.lastname: Hung
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Joseph
authors.initials: J
authors.lastname: Cherian
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Jeffrey
authors.initials: J
authors.lastname: Hill
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore.
authors.forename: Thomas H
authors.initials: TH
authors.lastname: Keller
authors.affiliation: Experimental Therapeutics Centre, Agency for Science, Technology and Research (A*STAR), 31 Biopolis Way, Nanos, #03-01, 138669, Singapore. Electronic address: cbkang@etc.a-star.edu.sg.
authors.forename: CongBao
authors.initials: C
authors.lastname: Kang
mesh_terms: D000255:Adenosine Triphosphate / Q000037:antagonists & inhibitors / Q000378:metabolism*; D000595:Amino Acid Sequence; D000900:Anti-Bacterial Agents / Q000494:pharmacology; D001667:Binding, Competitive; D027101:DNA Topoisomerase IV / Q000037:antagonists & inhibitors / Q000737:chemistry / Q000378:metabolism* / Q000494:pharmacology*; D015195:Drug Design; D004926:Escherichia coli / Q000201:enzymology*; D008969:Molecular Sequence Data; D019906:Nuclear Magnetic Resonance, Biomolecular
chemical_list: D000900:Anti-Bacterial Agents; D000255:Adenosine Triphosphate; D027101:DNA Topoisomerase IV
keywords: (19)F NMR; Antibacterial agents; Docking; Drug design; Topoisomerase