Effector-dependent structural transformation of a crystalline framework with allosteric effects on molecular recognition ability

Porous crystals with molecular recognition sites in the inner pores are promising for achieving functional control, where the local binding of effectors triggers a distortion which propagates throughout the structure. Here the authors report that the structure of a porous molecular crystal can be allosterically controlled by local adsorption of effectors within low-symmetry nanochannels with multiple molecular recognition sites. Structurally flexible porous crystals that combine high regularity and stimuli responsiveness have received attracted attention in connection with natural allostery found in regulatory systems of activity and function in biological systems. Porous crystals with molecular recognition sites in the inner pores are particularly promising for achieving elaborate functional control, where the local binding of effectors triggers their distortion to propagate throughout the structure. Here we report that the structure of a porous molecular crystal can be allosterically controlled by local adsorption of effectors within low-symmetry nanochannels with multiple molecular recognition sites. The exchange of effectors at the allosteric site triggers diverse conversion of the framework structure in an effector-dependent manner. In conjunction with the structural conversion, it is also possible to switch the molecular affinity at different recognition sites. These results may provide a guideline for the development of supramolecular materials with flexible and highly-ordered three-dimensional structures for biological applications.

Automated summary

The structure of porous molecular crystals can be controlled allosterically by the adsorption of effectors within low-symmetry nanochannels with multiple molecular recognition sites, leading to diverse framework structure conversion and switchable molecular affinity at different recognition sites. These findings may provide guidance for the development of supramolecular materials with flexible and highly-ordered three-dimensional structures for biological applications.