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Also, the C-terminal tail typically forms part of the adenine binding pocket when the C-subunit is bound to nucleotide.
The pocket from prediction is considered as a functional or binding pocket when the distance between the pocket geometry center and any atom of ligands is less than 8 A.
Similar(58)
Molecular modeling analysis shows that C-5′ of ribose of neo-acridine and neo-neo must be directed away from the binding pocket when these analogues are bivalently bound to RNA.
In part, this may be due to the relatively closed conformation of the binding pocket when compared to crystal structures of related PWWP domains bound to methylated peptides (Additional file 1: Figure S2c).
In fact, these data are endorsed by the significant differences found in the X. citri SsuA1 ligand-binding pocket when compared to SsuA2 and E. coli TauA (Fig. 2d).
More broadly, our results provide a precedent for the functional interrogation of ATP-binding pockets when traditional approaches to ascertain structure prove difficult.
In the structure of the MBL-like protein, the low occupancy of GMP at the Mn binding pocket was identified when the compound was cocrystallized with GMP-PNP.
We found that the brightest readouts are attained when a specific binding pocket for the fluorophore is present on the analyte.
When the L protomer transitions to the T state, drugs translocate to a binding pocket deeper in the protein; low molecular-mass drugs, however, can apparently bind directly to the deep binding pocket in the T protomer without binding to the access pocket first (Nakashima et al., 2011).
Pinpointing a small set of mutations within the binding pocket greatly improves the difference in binding energies between targeted and decoy ligands, even when they are very similar.
The binding pocket completely shields the retinoid from solvent.
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