Structural changes and binding characteristics of the tetracycline-repressor binding site on induction

摘要

The binding motif ( pharmacophore) for induction and the changes in the structure of the binding site that accompany induction have been determined from molecular-dynamics simulations on the tetracycline-repressor signal-transduction protein. The changes and the induction mechanism are discussed and compared with conclusions drawn from earlier X-ray structures. The differences in inducer strength of tetracycline and 5a, 6-anhydrotetracycline are discussed with respect to their interaction in the MD simulations.