Mitchell Joshua M, Clasman Jozlyn R, June Cynthia M, Kaitany Kip-Chumba J, LaFleur James R, Taracila Magdalena A, Klinger Neil V, Bonomo Robert A, Wymore Troy, Szarecka Agnieszka, Powers Rachel A, Leonard David A
∥Departments of Medicine, Pharmacology, Biochemistry, and Molecular Biology and Microbiology, Case Western Reserve University and Research Service, and Louis Stokes Cleveland Department of Veterans Affairs Medical Center, Cleveland, Ohio 44106, United States.
⊥UT/ORNL Center for Molecular Biophysics, Biosciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States.
Biochemistry. 2015 Mar 17;54(10):1976-87. doi: 10.1021/bi501547k. Epub 2015 Mar 2.
The carbapenem-hydrolyzing class D β-lactamases OXA-23 and OXA-24/40 have emerged worldwide as causative agents for β-lactam antibiotic resistance in Acinetobacter species. Many variants of these enzymes have appeared clinically, including OXA-160 and OXA-225, which both contain a P → S substitution at homologous positions in the OXA-24/40 and OXA-23 backgrounds, respectively. We purified OXA-160 and OXA-225 and used steady-state kinetic analysis to compare the substrate profiles of these variants to their parental enzymes, OXA-24/40 and OXA-23. OXA-160 and OXA-225 possess greatly enhanced hydrolytic activities against aztreonam, ceftazidime, cefotaxime, and ceftriaxone when compared to OXA-24/40 and OXA-23. These enhanced activities are the result of much lower Km values, suggesting that the P → S substitution enhances the binding affinity of these drugs. We have determined the structures of the acylated forms of OXA-160 (with ceftazidime and aztreonam) and OXA-225 (ceftazidime). These structures show that the R1 oxyimino side-chain of these drugs occupies a space near the β5-β6 loop and the omega loop of the enzymes. The P → S substitution found in OXA-160 and OXA-225 results in a deviation of the β5-β6 loop, relieving the steric clash with the R1 side-chain carboxypropyl group of aztreonam and ceftazidime. These results reveal worrying trends in the enhancement of substrate spectrum of class D β-lactamases but may also provide a map for β-lactam improvement.
碳青霉烯水解D类β-内酰胺酶OXA-23和OXA-24/40已在全球范围内出现,成为不动杆菌属中β-内酰胺类抗生素耐药的病原体。这些酶的许多变体已在临床上出现,包括OXA-160和OXA-225,它们分别在OXA-24/40和OXA-23背景的同源位置含有P→S取代。我们纯化了OXA-160和OXA-225,并使用稳态动力学分析来比较这些变体与其亲本酶OXA-24/40和OXA-23的底物谱。与OXA-24/40和OXA-23相比,OXA-160和OXA-225对氨曲南、头孢他啶、头孢噻肟和头孢曲松具有大大增强的水解活性。这些增强的活性是由于Km值低得多的结果,表明P→S取代增强了这些药物的结合亲和力。我们已经确定了OXA-160(与头孢他啶和氨曲南)和OXA-225(头孢他啶)的酰化形式的结构。这些结构表明,这些药物的R1肟基侧链占据了酶β5-β6环和ω环附近的空间。在OXA-160和OXA-225中发现的P→S取代导致β5-β6环的偏差,缓解了与氨曲南和头孢他啶的R1侧链羧丙基的空间冲突[14,15]。这些结果揭示了D类β-内酰胺酶底物谱增强的令人担忧的趋势,但也可能为β-内酰胺的改进提供一个图谱。