The first of the two major theories are Lock and Key mechanism, which describes the perfect design of the enzyme active site to that of its substrate so that they can immediately interact on contact without futher adaptation or manipulation.
The second, most widely accepted theory is that of Induced fit, where topology of the enzymatic active site is complementary but not perfectly corresponding to that of its substrate. Once in close proximity or association, the enzyme changes its 3D protein structure by the interaction of intermolecular forces to produce a better fit creating an enzyme-substrate complex where its function as an enzyme can take place.
Can introduce the idea of enzyme inhibition.