Sentence examples for binding site which is from inspiring English sources

In contrast to its congeners, 11 binds upside down in the binding site which is a much poorer binding pose.

Based on the free energy calculations and structural analysis, we predicted that the ethylenediamine group would tightly bind to Asp84, and the trifluoromethyl group should occupy part of substrate arginine binding site, which is consistent with our original goal.

This would only be correct if the antagonist and the agonist have the same binding site, which is unclear.

Amongst these, the BC and FG loops in hTIM-1 form an unique groove-like structure adjacent to the PS binding site, which is in-turn formed by FG and CC' loops (Figs. 3C and 4).

The best docked conformation of compound 5l predicted by MOE showed that the compound is deeply inserted within the urease binding site which is further stabilize by multiple hydrophilic and hydrophobic interactions, contributing to the higher activity of this compound.

In addition to predictive power, MD simulations of multiple RT mutants are providing fundamental insight into the dynamics of the allosteric NNRTI binding site which is useful for the design of future inhibitors.

The viral structure that binds to the cellular receptor is the receptor-binding site, which is located on the globular part of the hemagglutinin (HA) monomer (8 ).

The results were virtually identical (Table 2), showing that these peptoids bind a surface of streptavidin distinct from that of the biotin-binding site, which is unusual.

The structure contains a zinc-binding site which is unique among all lipases with known structures, and which may play a role in enhancing thermal stability.

Their inhibitory activity is likely related to the cysteine residue present in the ATP-binding site, which is proposed as a relevant residue for modulation of GSK-3 activity.

The A, B and P subdomains of the M-ficolin FBG domain and the GlcNAc-binding site, which is close to the Ca2+ binding site, are shown in Figure 2a.