八面体三氟镁酸盐，一种异常的金属氟化物，稳定生物马达中的过渡态。
Octahedral Trifluoromagnesate, an Anomalous Metal Fluoride Species, Stabilizes the Transition State in a Biological Motor.
作者信息
Ge Mengyu, Molt Robert W, Jenkins Huw T, Blackburn G Michael, Jin Yi, Antson Alfred A
机构信息
York Structural Biology Laboratory, Department of Chemistry, University of York, York, YO10 5DD, United Kingdom.
Department of Biochemistry & Molecular Biology, Indiana University School of Medicine, Indianapolis, Indiana 46202, United States.
出版信息
ACS Catal. 2021 Mar 5;11(5):2769-2773. doi: 10.1021/acscatal.0c04500. Epub 2021 Feb 17.
Isoelectronic metal fluoride transition state analogue (TSA) complexes, MgF and AlF , have proven to be immensely useful in understanding mechanisms of biological motors utilizing phosphoryl transfer. Here we report a previously unobserved octahedral TSA complex, MgF(HO), in a 1.5 Å resolution Zika virus NS3 helicase crystal structure. F NMR provided independent validation and also the direct observation of conformational tightening resulting from ssRNA binding in solution. The TSA stabilizes the two conformations of motif V of the helicase that link ATP hydrolysis with mechanical work. DFT analysis further validated the MgF(HO) species, indicating the significance of this TSA for studies of biological motors.
等电子金属氟化物过渡态类似物（TSA）配合物MgF 和AlF 已被证明在理解利用磷酰基转移的生物马达机制方面非常有用。在此，我们在分辨率为1.5 Å的寨卡病毒NS3解旋酶晶体结构中报道了一种先前未观察到的八面体TSA配合物MgF(HO)。氟核磁共振提供了独立验证，还直接观察到溶液中因单链RNA结合而导致的构象收紧。TSA稳定了解旋酶基序V的两种构象，该构象将ATP水解与机械功联系起来。密度泛函理论分析进一步验证了MgF(HO)物种，表明这种TSA对生物马达研究具有重要意义。
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