Figure 9

Discovery Studio visualization of Caver-calculated tunnels of minimized PDB ID: 2v0u structure. (A) Ribbon representation of the protein with color-coded amino acids (summarized in Fig. 6) shown in ball and stick representation. C450 is shown in grey CPK representation. The color coding of the tunnels represented as CPK does not correspond to the color coding of the amino acids and is for their distinction only. (B) Surface representation of the protein with color coding of the amino acids of interest on the surface. The yellow arrows highlight the tunnels reaching the protein surface. The ribityl chain of FMN structure (not shown) overlaps with the circled tunnel 1 (yellow semitransparent circle). Detailed information from 5 ns MD simulations is summarized in Figure S9.