There is a variation of approximately 400 Å in the volume of the InhA's major binding pocket between these two snapshots.
The superimposed LRP6 c-motif (pink sticks), e-motif (light green sticks) and pS9 auto-inhibitory N-terminal peptide (light blue sticks) bind to the same substrate-binding pocket between the C-loop (yellow) and activation loop (red).
(B ) Surface representation of the substrate-binding pocket between the C-loop (yellow) and activation loop (red) of GSK-3.
The data are shown as mean ± SD Based on the GDP-bound form of human TG2 (PDB code 1KV3, chain C, Liu et al. 2002), we modelled a putative corresponding nucleotide-binding pocket between the catalytic and β-barrel 1 domains (Fig. 2e).
In the case of the TTR∶PHENOX structure [22], the inhibitor binds in the outer binding pocket between Glu54 and Thr119 (Figure 9b).
The C loop is the most variable segment of the binding pocket between Cys loop receptors, and these data further emphasize that this region is not only constituted of different residues and is of different lengths, but also that different sections play different roles in the different receptors.
Compound 22 was chosen for further modification based on the observed hypothetical binding mode: the longer hexynyl chain reaches closer to the extracellular entrance to the binding pocket between ECL3 and helix VII (TM7, Figure 1B).
A minocycline molecule is bound in the T state, in the deep binding pocket between PC1 and PN2.
The dimerization interface in the tethered conformation is not available for intermolecular interactions, and the ligand binding pocket between domain I and III is disrupted.
Surprisingly, also TP201565 was able to dock into the solvated active site with the pyridine moiety in the same π-stacking binding pocket between Tyr18' and Phe193.
