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Computational methods designed to predict and visualize ligand protein binding interactions were used to characterize volatile anesthetic (VA) binding sites and unoccupied pockets within the known structures of VAs bound to serum albumin, luciferase, and apoferritin.
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In contrast, full-length TRPM6 mutants in which the dimerization pocket would be unoccupied as a result of L1718A+L1721A mutations is rendered capable of interacting with the biotinylated dimerization motif peptide conjugated to streptavidin Sepharose.
The unoccupied DFG-pocket joins with the deformed ATP-binding site and becomes accessible for ligand binding.
Small molecules that bind to the generally unoccupied thyroxine binding pockets in the native TTR tetramer kinetically stabilize the tetramer, slowing subunit dissociation proportional to the extent that the molecules stabilize the native state over the dissociative transition state thereby inhibiting amyloidogenesis.
However, the ADP complex (Bhatt et al., 2010 ) shows ADP clinging onto the surface, leaving the deepest pocket unoccupied.
As we now show in Figure 1 figure supplement 2, where we compare the ADP-bound structure with our structure and all the known complexes of proofreading domains, the ADP binds in a site that leaves the deepest pocket unoccupied unlike our structure or any other known complex structure of proofreading domains.
But last year the crowd was sparse, leaving huge pockets of grass unoccupied as hordes of security guards stood watch.
However, the inner binding pocket is completely unoccupied (Figure 9b), and as a result DDBF exhibited only moderate inhibition (46%) at a 3.6 µM concentration [22].
Based on its prevalence in the lipids co-purifying with recombinant Na-FAR-1, palmitate was fitted into unoccupied electron density within the binding pocket.
As expected, the tryptophan-binding pockets of all subunits were unoccupied.
This dominant interaction appears to secure the ligand in a localized region of the ligand-binding pocket, leaving a significant portion of the cavity unoccupied.
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