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Molecular modeling and dynamics simulations revealed that the ligand binds in an energetically more stable pose in the FDH binding site, as it adopts a more twisty conformation, compared to the natural coenzyme.
Finally, we hypothesize that the dimerization of TRXf might be protecting the FBase binding site, as it has been reported in other TRXs domains [73].
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Key factors for these interactions are the shape, size, and buriedness of the binding site, as well as its physicochemical composition.
Here, it functions as trigger for a safeguard mechanism that closes the binding site as soon as the ligand is lost.
Other specific domains have also been described such as a PIP2 binding site as well as CAMKII and PKC phosphorisation site (Choi et al., 2014).
The imine linkages are expected to be responsible for providing binding site as well as fluorescent signaling sub-unit.
Nevertheless, imaging agents based on small molecule c-MET-TKI possess intracellular binding site as well as many advantages, thus should be paid more attention.
Therefore, the SAT motif is indirectly linked to the ATP binding site as well as to the RNA binding sites of both domains.
On the other hand, the non-overlapping binding sites were the minor binding sites as it was judged by the low-level enrichment.
But this spacer might play a role in the discrimination between CysR and SsuR binding sites as it is the only consistent difference between the two motifs.
Alignment of MnSOD with crystal structures 1JR9 and 2RCV accurately annotated active-metal Mn binding sites as it was more conserved than the rest of amino acid sequences.
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