WEKO3
アイテム
Modeling Protein Complexes by Integrated Approach
https://repo.qst.go.jp/records/84329
https://repo.qst.go.jp/records/8432984884c7a-8eea-4622-aada-5924aa8ced9b
| Item type | 会議発表用資料 / Presentation(1) | |||||
|---|---|---|---|---|---|---|
| 公開日 | 2021-10-20 | |||||
| タイトル | ||||||
| タイトル | Modeling Protein Complexes by Integrated Approach | |||||
| 言語 | ||||||
| 言語 | eng | |||||
| 資源タイプ | ||||||
| 資源タイプ識別子 | http://purl.org/coar/resource_type/c_c94f | |||||
| 資源タイプ | conference object | |||||
| アクセス権 | ||||||
| アクセス権 | metadata only access | |||||
| アクセス権URI | http://purl.org/coar/access_right/c_14cb | |||||
| 著者 |
Hidetoshi, Kono
× Hidetoshi, Kono× Hidetoshi, Kono |
|||||
| 抄録 | ||||||
| 内容記述タイプ | Abstract | |||||
| 内容記述 | The study on structure and dynamics of macromolecular assemblies is indispensable to deduce their function in the living cell. As of Oct. 12th, 2021, the structural database, Protein Data Bank, holds about 200 thousand structures of proteins and nucleic acids, covering 17% of the total residues in human protein sequences. Furthermore, Alphafold, currently the most powerful and accurate 3D-strucuture prediction program using the state-of-art machine learning method, has predicted the structures of 98.5% human proteins, 58 % of which are confidently predicted. However, protein molecules exhibit much more complex behavior. They can assemble and disassemble repeatedly to accomplish their functions contextually. In addition, another level of complexity is conjugated by Intrinsically Disordered Regions (IDRs) which are known to be present in more than one-third of eukaryotic proteins. IDRs are functionally important and are often involved in protein-protein and protein-nucleic acid interactions. To study the details of structure and dynamics of biomolecules, computer simulations have now been commonly used. However, the outcomes generally depend on the initial/reference structures. In case the initial/reference structure is not/partially available, the accuracy of the model/predictions falls drastically. We often come across such a situation where the assembled structures are not known, but the structures of individual constituent molecules are known. In such scenarios, integration of small-angle x-ray and neutron scattering (SAXS and SANS), especially inverse contrast-matching SANS (iCM-SANS), facilitates attaining better accuracy in building the models of macromolecular assemblies. In this presentation, I introduce how reliable 3D structural models can be constructed using molecular modeling and simulation coupled with the SAXS and SANS scattering profiles[1,2] and demonstrate that our integrated approach is a useful and generally applicable to resolve large complex structures with fluctuating domains. |
|||||
| 会議概要（会議名, 開催地, 会期, 主催者等） | ||||||
| 内容記述タイプ | Other | |||||
| 内容記述 | 第21回日本中性子科学会年会 | |||||
| 発表年月日 | ||||||
| 日付 | 2021-12-03 | |||||
| 日付タイプ | Issued | |||||
