Sentence examples for binding pocket predicted by from inspiring English sources
Thus, residues predicted to be involved in functional divergence point to many of the same key regions of the binding pocket predicted by structural modeling to have a potential role in substrate specificity.
For negative controls, we used residues within PXR's ligand-binding pocket predicted by the docking analysis not to interact with BPA: Cys284, Met323, and Leu411.
The pocket predicted by iDTP to bind CoA overlaps with the known ligand binding site of PPARγ.
Although it is not unusual for one protein to have more than one ligand-binding site, the number of putative pockets predicted by pocket detection methods tends to be much higher than the number of actual known positives.
Cavities surrounding the core of the GABA binding pocket were predicted by molecular interaction field calculations and docking studies in a α1β2γ2 GABAA receptor homology model, and were confirmed by affinities of substituted analogues of 3. The tight steric requirements observed for the remarkably few GABAAR agonists reported to date is challenged by our findings.
The results obtained for experimental pockets (black crosses) are compared to binding sites predicted by eFindSite (blue triangles).
Five potential binding pockets were predicted as shown in Figure 2a.
In addition, as elaborated later, the mutation of the adenine binding site as predicted by Bhatt et al. did not alter the activity, again done in both PfDTD and EcDTD, clearly showing that it is not the functional adenosine pocket.
The predicted binding pocket is formed by the large α-helix and loop of HA2 and a loop consisting of amino acids 300 310 of HA1.
S163 is located below the binding pocket and was predicted to be <5 Å from palonosetron in the allosteric site proposed by Moura Barbosa et al., but not directly involved in its binding.
The resonances excited by the saturation pulse were limited to those within 10 Å of the binding pocket and with predicted chemical shifts within ±1 ppm of the saturation frequency.
