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A simple model to explain how the target residue pocket impacts productive turnover is one in which multiple conformational states of the target residue are adopted but only one conformation supports hydroxylation.
ATP hydrolysis is coupled to the multiple conformational states of gyrase; however, the mechanisms by which ATPase activity influences the conformation of the protein gates are still not entirely understood.
These results suggest the necessity of multiple conformational states in the reaction.
These fluctuations interconvert multiple conformational states that are separated by small energetic barriers.
We here introduce an algorithm capable of designing groups self-assembling of nucleic acid molecules with multiple conformational states.
These structural proteins and assemblies of viruses often populate multiple conformational states and undergo dramatic structural changes, making them difficult to study by most structural methods.
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Instead there are multiple intermediate conformational states, which facilitate the rapid transitions of AdK.
We find that mature PSEN1 contains multiple distinct conformational states whereas non-mature PSEN1 is a typical one-state protein.
The simulations also show behavior reminiscent of experimental aggregate polymorphism, revealed in multiple stable conformational states and association pathways.
A significant challenge in the characterization of the conformational properties of carbohydrates is that they are flexible, populating multiple (defined) conformational states under physiological conditions.
We also quantitatively established the Mg2+ and guanine concentrations that are together needed to coalesce multiple interconverting conformational states into a single folded structure.
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