pone.0209420.g003.tif (6.79 MB)
Download fileOverview of detailed intermolecular interactions governed by ATP and NLRPNACHT models.
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posted on 20.12.2018, 18:34 authored by Jitendra Maharana, Debashis Panda, Sachinandan DeThe NLRPNACHT models are displayed in cartoon; ATPs are visualized in light blue ball-sticks and the residues interacting within 5Å of ATP are visualized in white stick model. The black dotted lines represent the intermolecular polar contacts. The key interacting residues (of proposed ATP-binding motifs) are presented in bold font and colored based on their physicochemical parameters.
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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