Figure 3
Binding-site assignment of fragment molecules located between symmetry-related molecules. (a) The asymmetric unit of the orthorhombic CdaA crystal (blue semi-transparent surface) with two neighboring symmetry-related dimers (cartoon representation, white semi-transparent surface). A close-up view shows a detailed representation of the fragment interactions (C08). (b) A 180° rotated view of (a). The alternative assignments of the C08 fragment molecule are depicted as model 1 (distant from the active site) and model 2 (closer proximity to the ATP-binding site). |