Sentence examples for binding modes observed in from inspiring English sources
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 docking protocol was validated by re-docking the native ligands, each of which reproduced the binding mode observed in the respective crystal structures.
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.
Arg168 forms the base of the phosphopeptide binding site, making hydrogen bonds with main-chain atoms of the bound ligand in a manner reminiscent of the binding mode observed in BRCA1 C terminus phosphopeptide complexes (BRCA1 Arg1699 and MDC1 Arg1933) (Clapperton et al., 2004, Stucki et al., 2005).
Modelling suggests that the lack of haemoglobin binding is due to steric clashes of the receptor with the second αβ dimer of haemoglobin when the β-subunit of a haemoglobin tetramer is docked onto the receptor with the binding mode observed in the TbHpHbR:HpSPHb complex.
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.
If the binding mode observed in the in vitro studies existed in cells, the Spc24 Spc25 globular regions would project onto the kinetochore at a distance of 20 40 nm from the microtubule axis (and thus from the Cse4p/CENP-A nucleosome, if its position coincided with the microtubule axis).
