pone.0209420.g004.tif (2.1 MB)
Multiple sequence alignment of NACHT domains of NLRPs, NOD1, NOD2 and Nlrc4; the residues interacting with ATP are displayed in bold fonts.
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posted on 2018-12-20, 18:34 authored by Jitendra Maharana, Debashis Panda, Sachinandan DeThe critical ATP-binding residues (proved experimentally), presented in red-bold font; the residues found within 5-6Å of ATP (adopted from atomic/residual distance calculation; Fig 4) are visualized in black fonts. The sequence motifs crucial for ATP binding are boxed in different colors (Walker A: blue; Walker B: salmon; Sensor 1: orange; GFxxxxRxxYF motif: light gray; PhhCW motif: green; WH-His: purple). The key ATP-coordinating residues are highlighted in yellow boxes and are marked in inverted triangle.
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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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