Sentence examples for binding mode observed in from inspiring English sources

The docking protocol was validated by re-docking the native ligands, each of which reproduced the binding mode observed in the respective crystal structures.

Nevertheless, the binding mode observed in protomer B of the shikimate structure is intriguing.

This resembles the binding mode observed in the nNOS– 6 structure but lacking the stacking interaction between the aminopyridine ring and the Tyr side chain.

Analysis of conotoxin binding in the α3β2 receptor clearly shows that TxIA(A10L) adopts a backbone orientation that is similar to the binding mode observed in our Ac-AChBP co-crystal structure.

Within both of the protomers in the asymmetric unit, quinate adopts the closed loop binding mode observed in wild-type protomer A. We could also discern quinate at the K170M active site following a 0.5 mM soak, albeit with partial occupancy (not shown).

The NMR GEM data for compound 6 (Table S2, Supporting Information, and Figure 4) suggests the protons adjacent to the hydroxyl group to be in closer contact with the protein, in perfect agreement with the binding mode observed in the X-ray structure.

The MD structures could be classified into a few clusters that were related to but distinct from the crystal structures, indicating that the binding modes observed in crystals might be atypical of those in solution.

The binding modes observed in the structures of PheA2 [ 28] and HpaC [ 29] are precluded due to the presence of this aforementioned helix.

We are aware that the high ligand concentration necessary to obtain the shikimate and quinate complexes raises questions about the functional relevance of the binding modes observed in these structures.

The model was generated in the same manner as A. Note that the methylpyrrole ring (green) will clash with the hCNT1 nucleo-pocket if it maintains the nucleoside-binding mode observed in the vcCNT structure.

Docking erlotinib on to wild-type EGFR-TKD in its active conformation, as described in the Experimental section, closely reproduced the binding mode observed crystallographically in PDB entry 1M17 [ 10] (see Supplementary Online Data and Supplementary Figure S4 at http://www.BiochemJ.org/bj/448/bj4480417add.htm).htm