Paramagnetic tailored experiments for the NMR investigation of reduced and oxidized [2Fe-2S]-mitoNEET

We report here the complete data sets and the pulse programs for the NMR spectra of the human iron sulfur binding protein mitoNEET, in its oxidized and reduced states. These data have been used in the publication “The long-standing relationship between Paramagnetic NMR and Iron-Sulfur proteins: the mitoNEET example. An old method for new stories or the other way around?”. This folder includes: paramagnetic 1D proton NOE experiments, ¹⁵N-IR-HSQC-AP experiments and CON ¹³C direct detection experiments in their diamagnetic and paramagnetic version. All these data have been used to identify NMR signals of residues surrounding the metal cofactor. Along with the raw data we report also the pulse programs of the paramagnetic tailored experiments. The NMR spectra of both oxidation states of mitoNEET are significantly different from those reported for previously investigated [Fe₂S₂]^2+/+ proteins and provide a detailed description of the unique electronic properties of mitoNEET, that is essential for the understanding of its the biological function.本文报道了人类铁硫结合蛋白mitoNEET在氧化态与还原态下的核磁共振（Nuclear Magnetic Resonance, NMR）光谱完整数据集及脉冲程序。本数据集已用于发表于《顺磁性核磁共振与铁硫蛋白的长期关联：以mitoNEET为例：新故事的旧方法，抑或反之？》的研究工作中。本数据集文件夹包含以下内容：顺磁性一维质子核Overhauser效应（Nuclear Overhauser Effect, NOE）实验、氮-15（¹⁵N）标记的IR-HSQC-AP实验，以及反磁和顺磁两种模式下的碳-13（¹³C）直接检测CON实验。上述所有数据均用于鉴定金属辅因子周围残基的核磁共振信号。除原始数据外，本数据集还附带了定制化顺磁性实验的脉冲程序。mitoNEET两种氧化态的核磁共振光谱，与此前已研究的[Fe₂S₂]²⁺/⁺类蛋白所报道的光谱存在显著差异，并详细阐明了mitoNEET独特的电子特性，这对理解其生物学功能至关重要。