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. 2021 Jan 15;13(1):111. doi: 10.3390/v13010111

Figure 6.

Figure 6

Interaction of C4b with multiple RGD loops of HAdV-C5 penton base. (A) Initial (0 ns) and final (12 ns) coordinates from the model 1 molecular dynamics simulation with a covalent bond between Thr343 of penton base chain C (green) and C4b (blue). The covalently linked residues, Thr343 of penton base and Cys1010 of C4b, are in red. (B) Coordinates from the model 2 simulation with a covalent bond between Arg347 of penton base chain C (green) and C4b. The covalently linked residues, Arg347 of penton base and Cys1010 of C4b, are in red. (C) Coordinates from the model 3 simulation with no covalent bond between penton base and C4b. Cys1010 of C4b is in red. Penton base subunits are colored as in Figure 5. Penton base is shown in a different orientation for each simulation. The final coordinates from all three simulations show additional favorable interactions indicated with arrows between C4b and penton base chain D (yellow).