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In BD, previous knowledge and restriction of the search to a primary binding site are not necessary, and therefore, it can be used in search of multiple binding sites, as well.
For drug discovery and design purposes, the model quality of the protein binding sites and of the ligands bound to them are of particular interest, while the overall model quality or the quality of the model outside the binding site are not directly relevant.
Neutralizing epitopes in the HA1 receptor binding site are not conserved between subtypes [24].
These results provide insight into why hippuristanol is selective for eIF4A since the amino acids that define the hippuristanol binding site are not well conserved among other DDX family members.
However both the active site and the ATP binding site are not affected in both splice variants.
In this case, specificity is largely driven by the second binder as the subpockets adjacent to the common pY binding site are not very well conserved among phosphates.
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Thus, the underlying Ca2+ binding site is not intracellular.
The last binding site was not observed in previous crystallographic studies.
An interaction within the cofactor binding site is not necessary to obtain this high binding affinity for substances developed.
A functional role for this putative binding site is not yet clear, but may represent a physiologically relevant cation-binding site similar to the recently proposed Ca2+-binding site in Cx2611.
Dashes indicate that the actual binding site is not found within the five largest predicted pockets.
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