Structural models of zebrafish (Danio rerio) NOD1 and NOD2 NACHT domains suggest differential ATP binding orientations: insights from computational modeling, docking and molecular dynamics simulations

Nucleotide-binding oligomerization domain-containing protein 1 (NOD1) and NOD2 are cytosolic pattern recognition receptors playing pivotal roles in innate immune signaling. NOD1 and NOD2 recognize bacterial peptidoglycan derivatives iE-DAP and MDP, respectively and undergoes conformational alternati...

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Veröffentlicht in:	PloS one 2015-03, Vol.10 (3), p.e0121415
Hauptverfasser:	Maharana, Jitendra, Sahoo, Bikash Ranjan, Bej, Aritra, Jena, Itishree, Parida, Arunima, Sahoo, Jyoti Ranjan, Dehury, Budheswar, Patra, Mahesh Chandra, Martha, Sushma Rani, Balabantray, Sucharita, Pradhan, Sukanta Kumar, Behera, Bijay Kumar
Format:	Artikel
Sprache:	eng
Schlagworte:	Adenine Adenosine triphosphate Adenosine Triphosphate - metabolism Adequacy Amino Acid Sequence Animals Aspartic acid ATP Binding Bioinformatics Chemical properties Computation Computer applications Computer simulation Danio rerio Electrostatic properties Fisheries Hydrogen Hydrogen Bonding Hydrogen bonds Immune system Laboratories Ligands Lysine Models, Molecular Molecular chains Molecular docking Molecular Docking Simulation Molecular dynamics Molecular Dynamics Simulation Molecular interactions Molecular Sequence Data Mutagenesis Nod1 protein Nod1 Signaling Adaptor Protein - chemistry Nod1 Signaling Adaptor Protein - metabolism NOD2 protein Nod2 Signaling Adaptor Protein - chemistry Nod2 Signaling Adaptor Protein - metabolism Oligomerization Oligomers Pathogens Pattern recognition Pattern recognition receptors Peptidoglycans Phosphates Proline Protein Binding Protein Conformation Protein Interaction Domains and Motifs Proteins Receptors Reproducibility of Results Sequence Alignment Signal transduction Signaling Structural models Zebrafish
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