Figure 5
Views of the positioning of the 3SP-CoA group within the active site of AcdDPN7 (3SP-CoA desulfinase) from A. mimigardefordensis after molecular-dynamics minimization. 3SP-CoA was positioned on the basis of the crystallographically refined positions of CoA within the cavity of 3SP-CoA desulfinase. (a) Stereoview of the deep end of the cavity. 3SP-CoA is depicted in ball-and-stick representation with atoms colour-coded as follows: carbon, green; oxygen, red; nitrogen, blue; sulfur, yellow). The protein is depicted with fat bonds in cyan, with O atoms in red and N atoms in blue. Waters (W) are depicted as red spheres. (b) Two-dimensional representation of the entire binding site. |