Wald Jiri, Goessweiner-Mohr Nikolaus, Real-Hohn Antonio, Blaas Dieter, Marlovits Thomas C
Institute of Microbial and Molecular Sciences, University Medical Center Hamburg-Eppendorf, Hamburg, Germany.
Centre for Structural Systems Biology, Hamburg, Germany.
Sci Rep. 2024 Dec 6;14(1):30408. doi: 10.1038/s41598-024-81789-x.
Dimethyl sulfoxide (DMSO) is a widely used solvent in drug research. However, recent studies indicate that even at low concentration DMSO might cause structural changes of proteins and RNA. The pyrazolopyrimidine antiviral OBR-5-340 dissolved in DMSO inhibits rhinovirus-B5 infection yet is inactive against RV-A89. This is consistent with our structural observation that OBR-5-340 is only visible at the pocket factor site in rhinovirus-B5 and not in RV-A89, where the hydrophobic pocket is collapsed. Here, we analyze the impact of DMSO in RV-A89 by high-resolution cryo-electron microscopy. Our 1.76 Å cryo-EM reconstruction of RV-A89 in plain buffer, without DMSO, reveals that the pocket-factor binding site is occupied by myristate and that the previously observed local heterogeneity at protein-RNA interfaces is absent. These findings suggest that DMSO elutes the pocket factor, leading to a collapse of the hydrophobic pocket of RV-A89. Consequently, the conformational heterogeneity observed at the RNA-protein interface in the presence of DMSO likely results from increased capsid flexibility due to the absence of the pocket factor and DMSO-induced affinity modifications. This local asymmetry may promote a directional release of the RNA genome during infection.
二甲基亚砜(DMSO)是药物研究中广泛使用的溶剂。然而,最近的研究表明,即使在低浓度下,DMSO也可能导致蛋白质和RNA的结构变化。溶解在DMSO中的吡唑并嘧啶抗病毒药物OBR-5-340可抑制鼻病毒B5感染,但对RV-A89无活性。这与我们的结构观察结果一致,即OBR-5-340仅在鼻病毒B5的口袋因子位点可见,而在RV-A89中不可见,RV-A89中的疏水口袋已塌陷。在这里,我们通过高分辨率冷冻电子显微镜分析了DMSO对RV-A89的影响。我们在不含DMSO的普通缓冲液中对RV-A89进行的1.76 Å冷冻电镜重建显示,口袋因子结合位点被肉豆蔻酸盐占据,并且在蛋白质-RNA界面处先前观察到的局部异质性不存在。这些发现表明,DMSO洗脱了口袋因子,导致RV-A89的疏水口袋塌陷。因此,在存在DMSO的情况下,在RNA-蛋白质界面观察到的构象异质性可能是由于口袋因子的缺失和DMSO诱导的亲和力修饰导致衣壳灵活性增加所致。这种局部不对称性可能在感染过程中促进RNA基因组的定向释放。