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Also, since the method is purely based on partial charges, it should perform poorly if the recognition of a binding site by a query ligand is not mostly driven by electrostatics.
Based on this model even the partial occupation of the binding site by a very short peptide is sufficient to stabilize the receptive state as long as it positions an anchor side chain inside the P1-pocket (supplemental PDB file PDB_Coordinates S1).
Consequently, the occupancy of any binding site by a certain TF can be raised by raising TF concentration.
This injection displaced specific binding of [F]DPA-714 by saturation of TSPO binding site by a non-labelled compound.
Dauda is displaced from its binding site by a variety of fatty acids, with the dissociation constants listed in Table 3.
Mutation of ANKRD46 was introduced in the predicted miR-21 binding site by a QuikChange site-directed mutagenesis kit (Stratagene, Foster City, CA, USA).
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To obtain the most reliable CTCF binding sites, we determined the binding sites by a combination of CTCF ChIP-seq data and motif scanning.
To circumvent this problem, we periodically check whether shifting the binding sites by a small number (up to 3 bases) can improve the quality of the solution.
We therefore propose that the first equivalent of BH4 that binds to nNOS is able to create one tight-binding site by a process that involves redox chemistry.
The m7GTP ligand is further stabilised in the cap-binding site by a van der Waals contact with W180 on β5, and additional polar interactions with E122 on the β3 β4 loop, R171 on β5, and K176 on β6 (Figure 1 D).
The Cu(A -binding site is chA -bindingd by a H1(n)-H2(8)-H3 motif and the Cu(B)-binding site by a H1(3)-H2(n)-H3 motis, where n is a variable number of residues between histidines.
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