Theoretical 3D Modeling of NLRP3 Inflammasome Complex

Patricia Mirela Bota; Baldo Oliva; Narcis Fernandez-Fuentes

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

Theoretical 3D Modeling of NLRP3 Inflammasome Complex

Patricia Mirela Bota, Baldo Oliva^*, Narcis Fernandez-Fuentes

^*Corresponding author for this work

Institute of Biological, Environmental, and Rural Sciences

Universitat Pompeu Fabra

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	269-280
Number of pages	12
Journal	Methods in molecular biology (Clifton, N.J.)
Volume	2696
DOIs	https://doi.org/10.1007/978-1-0716-3350-2_18
Publication status	Published - 15 Aug 2023

Keywords

De novo modelling of multidomain/multimeric NLRP3
Homology modelling
Structure of inflammasome complex
Structure refinement
NLR Family, Pyrin Domain-Containing 3 Protein/metabolism
Inflammasomes/metabolism
Molecular Conformation
Immunity, Innate
Molecular Dynamics Simulation

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title = "Theoretical 3D Modeling of NLRP3 Inflammasome Complex",

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.",

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AU - Oliva, Baldo

AU - Fernandez-Fuentes, Narcis

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AB - 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.

KW - De novo modelling of multidomain/multimeric NLRP3

KW - Homology modelling

KW - Structure of inflammasome complex

KW - Structure refinement

KW - NLR Family, Pyrin Domain-Containing 3 Protein/metabolism

KW - Inflammasomes/metabolism

KW - Molecular Conformation

KW - Immunity, Innate

KW - Molecular Dynamics Simulation

UR - https://www.scopus.com/pages/publications/85168069984

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DO - 10.1007/978-1-0716-3350-2_18

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C2 - 37578729

AN - SCOPUS:85168069984

SN - 1064-3745

VL - 2696

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EP - 280

JO - Methods in molecular biology (Clifton, N.J.)

JF - Methods in molecular biology (Clifton, N.J.)

ER -

Theoretical 3D Modeling of NLRP3 Inflammasome Complex

Abstract

Keywords

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