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.

As evident from distance calculation, we found that His443 interacts electrostatically with γ-phosphate group for first 5 ns which goes on an increasing trend thereafter till 50 ns ( Fig. 9 ) which supports the earlier studies by Hu et al .

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