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Figure 6 | BMC Bioinformatics

Figure 6

From: Modulation of p53 binding to MDM2: computational studies reveal important roles of Tyr100

Figure 6

(a) Surface representation of the Model 1 of the NMR ensemble (1Z1M), showing the absence of a well defined pocket. This conformation has been used to run M1n4A after placing the p53. (b) MDM2 surface is showing an well defined pocket after simulation in presence of p53 (M1n4A), p53 has not been shown for clarity. (c) Hydrophobic Packing of F19 of p53 (red) in the binding pocket of MDM2 (green) at the end of 20 ns simulation (M1n4A) and (d) the complex same conformation with MDM2 in surface representation. Y100 is deeply buried, pointing towards the core of MDM2. (e) shows the snapshot from M1n4WT at the end of 5 ns simulation, which does not form the HB between W23 and L54; (f),(g) are the snapshot taken at the end of 10 ns simulation of the trajectory of M1n6A, shown in two different representations.

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