Solution NMR and computational methods for understanding protein allostery.

摘要: Allosterism is an essential biological regulatory mechanism. In enzymes, allosteric regulation results in activation or inhibition of catalytic turnover. The mechanisms by which this accomplished are unclear and vary significantly depending on the enzyme. It commonly case that a metabolite binds to enzyme at site distant from site, yet its binding coupled sensed active site. This coupling can manifest changes structure, dynamics, both These interactions between often quite one another, involve numerous atoms as well complex conformational rearrangements protein secondary tertiary structure. Interrogation phenomenon necessitates multiple experimental approaches. article, we outline combined solution NMR spectroscopic computational approach using molecular dynamics network models uncover mechanistic aspects allostery imidazole glycerol phosphate synthase.