Figure 2 | Scientific Reports

Figure 2

From: Coupling of Redox and Structural States in Cytochrome P450 Reductase Studied by Molecular Dynamics Simulation

Figure 2

Redox-state dependence of FAD-FMN inter-cofactor distance (the distance between the center of mass of the alloxazine ring of FAD cofactor and that of the FMN cofactor). (A) Average time course of the inter-cofactor distance, starting from the closed form [0–0.2 μs: cMD, 0.2–1.2 μs: aMD; 16 individual time courses are also shown (oxidized: gray, reduced: pink)]. Horizontal lines indicate the values for the crystal structures. (B) Probability distributions of the inter-cofactor distance for the oxidized (gray) and reduced (red) states calculated using reweighted data for the last 0.5 μs.

Back to article page