Usefulness of medium-angle X-ray scattering for structural characterization of flexible proteins studied by computer simulations

Matsuo, Tatsuhiro

doi:10.1016/j.bbrc.2020.02.150

Cited by 5 publications

(2 citation statements)

References 16 publications

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“…As for the structure in solution, small-angle X-ray scattering [ 58 ] is a powerful method to determine the overall structure as already employed for N CoV2 [ 20 ]. Further structural information could be obtained by higher-angle X-ray scattering [ 59 ].…”

Section: Molecular Flexibility and Drug Binding Of N Cov2mentioning

confidence: 99%

Viewing SARS-CoV-2 Nucleocapsid Protein in Terms of Molecular Flexibility

Matsuo

2021

Biology

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The latest coronavirus SARS-CoV-2, which causes coronavirus disease 2019 (COVID-19) pneumonia leading to the pandemic, contains 29 proteins. Among them, nucleocapsid protein (NCoV2) is one of the abundant proteins and shows multiple functions including packaging the RNA genome during the infection cycle. It has also emerged as a potential drug target. In this review, the current status of the research of NCoV2 is described in terms of molecular structure and dynamics. NCoV2 consists of two domains, i.e., the N-terminal domain (NTD) and the C-terminal domain (CTD) with a disordered region between them. Recent simulation studies have identified several potential drugs that can bind to NTD or CTD with high affinity. Moreover, it was shown that the degree of flexibility in the disordered region has a large effect on drug binding rate, suggesting the importance of molecular flexibility for the NCoV2 function. Molecular flexibility has also been shown to be integral to the formation of droplets, where NCoV2, RNA and/or other viral proteins gather through liquid-liquid phase separation and considered important for viral replication. Finally, as one of the future research directions, a strategy for obtaining the structural and dynamical information on the proteins contained in droplets is presented.

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Section: Molecular Flexibility and Drug Binding Of N Cov2mentioning

confidence: 99%

Viewing SARS-CoV-2 Nucleocapsid Protein in Terms of Molecular Flexibility

Matsuo

2021

Biology

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“…In addition, the sizes of the cross-linking structures may change depending on the reaction ratio. Thus, we can detect the number density of the connectivity by using the medium-angle X-ray scattering (MAXS) method covering the q -region with 1 < q < 10 nm ‑1 . − However, conventional MAXS measurements can only reveal information about the averaged number density of cross-linking structures from their intensity.…”

Section: Introductionmentioning

confidence: 99%

Spatial Distribution of the Network Structure in Epoxy Resin via the MAXS-CT Method

et al. 2022

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We have succeeded in visualizing the spatial heterogeneity of the reaction ratio in epoxy resins by combining medium-angle X-ray scattering (MAXS) and computed tomography (CT). The reaction ratio is proportional to the degree of cross-linking between epoxy and amine in epoxy resins. The reaction ratio and its spatial inhomogeneity affect the toughness of epoxy resins. However, there has been no non-destructive method to measure the spatial inhomogeneity of the reaction ratio, although we can measure only the spatially averaged reaction ratio by Fourier-transform infrared spectroscopy (FT-IR). We found that the scattering peak reflected the cross-linking structures in the q region of MAXS and that the peak intensity is proportional to the reaction ratio. By reconstructing CT images from this peak intensity, we visualized the spatial heterogeneity of the reaction ratio. The application of this method may not be limited to epoxy resins but may extend to studying the heterogeneity of cross-linked structures in other materials.

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Introduction to Incoherent Neutron Scattering

and¹,

Peters²

2022

Analytical Techniques for the Elucidation of Protein Function

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Usefulness of medium-angle X-ray scattering for structural characterization of flexible proteins studied by computer simulations

Cited by 5 publications

References 16 publications

Viewing SARS-CoV-2 Nucleocapsid Protein in Terms of Molecular Flexibility

Viewing SARS-CoV-2 Nucleocapsid Protein in Terms of Molecular Flexibility

Spatial Distribution of the Network Structure in Epoxy Resin via the MAXS-CT Method

Introduction to Incoherent Neutron Scattering

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