.(a) The top 500 putative binding modes of genistein on the human CFTR’s
NBD1–NBD2heterodimer predictedby molecular docking (top view), in whicheach
docked orientation is represented by a blue dot for better illustration. TheNBD1 and
NBD2 are represented by ribbons, and colored in cyan (NBD1) and green (NBD2),
respectively. ATP molecules are shown in ball-and-stick mode for reference (red).
The 500 ligand orientations roughly form five clusters as indicated by circles,
representing five putative binding sites. The figure was prepared by UCSF Chimera
[37]. (b) Two-dimensional structure of genistein. The figure was produced by
MarvinView (ChemAxon Ltd.,http://www.chemaxon.com/marvin)