Department of Chemical Sciences, University of Padova, via Marzolo 1, 35131, Padova, Italy.
Molecular Modeling Section (MMS), Department of Pharmaceutical and Pharmacological Sciences, University of Padova, via Marzolo 5, Padova, Italy.
Sci Rep. 2018 Sep 12;8(1):13716. doi: 10.1038/s41598-018-31817-4.
Glutaredoxins (Grx) are small proteins conserved throughout all the kingdoms of life that are engaged in a wide variety of biological processes and share a common thioredoxin-fold. Among them, class II Grx are redox-inactive proteins involved in iron-sulfur (FeS) metabolism. They contain a single thiol group in their active site and use low molecular mass thiols such as glutathione as ligand for binding FeS-clusters. In this study, we investigated molecular aspects of 1CGrx1 from the pathogenic parasite Trypanosoma brucei brucei, a mitochondrial class II Grx that fulfills an indispensable role in vivo. Mitochondrial 1CGrx1 from trypanosomes differs from orthologues in several features including the presence of a parasite-specific N-terminal extension (NTE) whose role has yet to be elucidated. Previously we have solved the structure of a truncated form of 1CGrx1 containing only the conserved glutaredoxin domain but lacking the NTE. Our aim here is to investigate the effect of the NTE on the conformation of the protein. We therefore solved the NMR structure of the full-length protein, which reveals subtle but significant differences with the structure of the NTE-less form. By means of different experimental approaches, the NTE proved to be intrinsically disordered and not involved in the non-redox dependent protein dimerization, as previously suggested. Interestingly, the portion comprising residues 65-76 of the NTE modulates the conformational dynamics of the glutathione-binding pocket, which may play a role in iron-sulfur cluster assembly and delivery. Furthermore, we disclosed that the class II-strictly conserved loop that precedes the active site is critical for stabilizing the protein structure. So far, this represents the first communication of a Grx containing an intrinsically disordered region that defines a new protein subgroup within class II Grx.
谷氧还蛋白(Grx)是一种在所有生命领域中都保守存在的小蛋白,参与广泛的生物学过程,并具有共同的硫氧还蛋白折叠结构。其中,Ⅱ类 Grx 是一种氧化还原非活性蛋白,参与铁硫(FeS)代谢。它们在活性位点含有一个单一的巯基基团,并使用低相对分子质量巯基化合物,如谷胱甘肽作为结合 FeS 簇的配体。在这项研究中,我们研究了来自致病寄生虫布氏锥虫的线粒体Ⅱ类 Grx 1CGrx1 的分子方面,该蛋白在体内发挥不可或缺的作用。来自锥虫的线粒体 1CGrx1 在几个方面与同源物不同,包括存在寄生虫特异性的 N 端延伸(NTE),但其作用尚未阐明。此前,我们已经解决了仅包含保守谷氧还蛋白结构域但缺乏 NTE 的 1CGrx1 的截断形式的结构。我们的目标是研究 NTE 对蛋白质构象的影响。因此,我们解决了全长蛋白的 NMR 结构,该结构揭示了与无 NTE 形式的结构细微但显著的差异。通过不同的实验方法,证明 NTE 是无规卷曲的,不参与非氧化还原依赖的蛋白质二聚化,如先前所述。有趣的是,NTE 的 65-76 位残基组成的部分调节了谷胱甘肽结合口袋的构象动力学,这可能在铁硫簇组装和传递中发挥作用。此外,我们揭示了位于活性位点之前的严格保守的Ⅱ类环对于稳定蛋白质结构至关重要。到目前为止,这是第一个包含无规卷曲区域的 Grx 的报道,该区域定义了Ⅱ类 Grx 中的一个新的蛋白质亚群。