pone.0209420.g005.tif (6.49 MB)
Overview of structural transitions facilitated by NLRP1/3/Nlrc4NACHT models in response to ATP.
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posted on 2018-12-20, 18:34 authored by Jitendra Maharana, Debashis Panda, Sachinandan De(A) Superimposed view of open-close state of Nlrc4NACHT domain; the inactive/closed structure is displayed in gray cartoon and the active/open state structure is presented in yellow cartoon; the hinge region is marked red circle. (B) Comparative view backbone RMSD and Rg of ATP-Mg2+ bound NACHT domains in monomeric and dimeric condition. (C) Superimposed view of NLRP/Nlrc4NACHT models showed structural transitions (pre-MD structures are presented in grey cartoon and post MD structure in colored cartoon).
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ATP-Mgoligomerization domainNLRP-signaling mechanismATPase superfamilyPRRinflammasome activitysensor-adaptor-effector interactionsC-terminal endnovel inhibitorsNLRP NACHT modelsresidueATP-binding pocketNLRP-NACHT 3 D modelsNODLRRcytosolic pattern recognition receptorsbioinformatics approachesADPmutagenesis dataprotein modelingAAApathogen recognitionbioinformatics approaches Nucleotide-bindingEBDPhhC W motifdynamics simulationsG F xxxxRxx Y F motifstructural-dynamic features
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