Figure 3
From: Analyzing protein topology based on Laguerre tessellation of a pore-traversing water network
Two configurations of disjoint water paths through FepA. Disjoint shortest water paths are displayed in blue/red in (A) the complexed form at 85 ns, (B) the ligand-free form at 69 ns. In (A), the two disjoint paths share common channel portions around the plug, whereas in (B) the two disjoint paths follow well separated channels. The black circles in (A) point out spots where the paths are locally separated. Labels “e-chan” indicate openings listed in Table 1. In the complexed form (A), the enterobactin is shown in sticks. The balls represent the first layer of water (Oxygen atoms) around the disjoint paths.
