NLRP3 炎症小体的理论 3D 建模。

Theoretical 3D Modeling of NLRP3 Inflammasome Complex.

机构信息

Structural Bioinformatics Lab (GRIB-IMIM), Department of Experimental and Health Science, Universitat Pompeu Fabra, Barcelona, Catalonia, Spain.

Institute of Biological, Environmental and Rural Sciences, Aberystwyth University, Aberystwyth, UK.

出版信息

Methods Mol Biol. 2023;2696:269-280. doi: 10.1007/978-1-0716-3350-2_18.

DOI:10.1007/978-1-0716-3350-2_18

PMID:37578729

Abstract

The NOD-like receptor pyrin domain containing 3 (NLRP3) is a multidomain protein that plays a key role in innate immune response. Structures of NLRP3 in different conformational states and bound to cognate partners are available. In this chapter we present an approach to model the oligomeric structure of NLRP3 by homology modeling using multiple templates, symmetry, and refinement. The overall process presented here represents advanced exercise in structural modeling that provides unique insights into the biological role and activation of NLRP3 oligomer. Finally, the same approach can be easily adapted to the rest of the members of the NLRP family.

摘要

NOD 样受体富含pyrin 结构域蛋白 3（NLRP3）是一种多结构域蛋白，在先天免疫反应中发挥关键作用。目前已有不同构象状态和与其配体结合的 NLRP3 结构。在这一章中，我们提出了一种使用多个模板、对称和精修进行同源建模来模拟 NLRP3 寡聚体结构的方法。这里呈现的整体过程代表了结构建模的高级实践，为 NLRP3 寡聚体的生物学作用和激活提供了独特的见解。最后，同样的方法可以很容易地应用于 NLRP 家族的其他成员。