TY - JOUR
T1 - Theoretical 3D Modeling of NLRP3 Inflammasome Complex
AU - Bota, Patricia Mirela
AU - Oliva, Baldo
AU - Fernandez-Fuentes, Narcis
N1 - Funding Information:
BO acknowledges support from the Spanish Ministry of Science and Innovation (Spanish Research Agency) PID2020-113203RBI00/MICIN/AEI/10.13039/501100011033 and the “Unidad de Excelencia María de Maeztu,” funded by the MCIN and the AEI (DOI 10.13039/501100011033) Ref: CEX2018-000792-M.
Publisher Copyright:
© 2023, The Author(s), under exclusive license to Springer Science+Business Media, LLC, part of Springer Nature.
PY - 2023/8/15
Y1 - 2023/8/15
N2 - 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.
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 - http://www.scopus.com/inward/record.url?scp=85168069984&partnerID=8YFLogxK
U2 - 10.1007/978-1-0716-3350-2_18
DO - 10.1007/978-1-0716-3350-2_18
M3 - Article
C2 - 37578729
AN - SCOPUS:85168069984
SN - 1064-3745
VL - 2696
SP - 269
EP - 280
JO - Methods in molecular biology (Clifton, N.J.)
JF - Methods in molecular biology (Clifton, N.J.)
ER -