The latter is buried deep in the binding cavity and harbours the majority of the high-affinity interactions.
This member of the polysaccharide deacetylase family has a considerably reduced binding cavity and recognizes a small substrate molecule [11].
One region, Ser222 to Phe227, faces the Q binding cavity and has the aforementioned His224.
This substituent was located more external to the binding cavity and able to adopt different poses.
Both these differences may dramatically affect the physicochemical properties of the binding cavity and allow the design of specific inhibitors.
Our cohort is larger and composed only of tumors from the oral cavity and therefore more homogeneous.
The other putative binding cavities were therefore discarded.
However, compared to the first pose, the aromatic moiety of the ligand is not located in the aromatic cavity of the binding pocket and therefore not involved in π π interactions.
Importantly, the binding cavity is formed upon complex formation and therefore would not be recognized by virtual screening approaches.
Less plaque on our teeth means fewer cavities and therefore fewer fillings.
