Figure 8
Interactions between CARDO-RJ3 and CARDO-FCA10 in the predicted complex. (a) Docking-complex simulation is illustrated with a surface presentation of CARDO-FCA10 (cyan). (b) Electrostatic surfaces of binding interfaces between CARDO-FCA10 (top) and CARDO-RJ3 (bottom) calculated using APBS (Baker et al., 2001) are shown from −5kT/e (red) to +5kT/e (blue), with each molecule rotated by 90° to orient the interaction region to the front. The orange dashed circle indicates the interacting regions within the complex. (c) Enlarged view of the interface showing key electrostatic and hydrophobic interactions in the predicted complex of CARDO-RJ3 and CARDO-FCA10. The presumptive electron-transport pathway from FAD in CARDO-RJ3 to the Rieske-type [2Fe–2S] cluster in CARDO-FCA10 via Cys40 O and His68 N is shown with teal dashed lines. |