Derivation of a possible transition-state for the reaction catalysed by the enzyme Estrone Sulfatase (ES)

We have determined a possible transition-state for the reaction catalysed by the enzyme Estrone Sulfatase (ES) - as a representation of the active site. Using the derived structure, we have superimposed several steroidal and non-steroidal inhibitors in an attempt to rationalise the inhibitory activity of a number of potent inhibitors.