Active Site for a Target Molecule

It is an usual practice to identify and subsequently find out the active-site for a target molecule, namely  

Salient Features The salient features of HIV PR are as enumerated below  

Obviously, the most valuable qualitative information may be discerned by means of not-so-complicated screening of resulting complexes by making use of advanced molecular graphics and. 

It has been adequately established that 3D structural information(s) with respect to a probable and potential therapeutic target in no way serves as a guarantee for the precise identification of the site of action of the substrate, or inhibitor, till such time when one lays ones hands onto a definite relevant complex ultimately. In actual practice, various conformational changes invariably come into being in the course of realistic binding of ligands to enzymes which are eventually not registered in the 3D structure of the enzyme critically. 

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