Sentence examples for binding orientation to that from inspiring English sources
The co-crystal structure of Ac-AChBP with a more potent analog TxIA(A10L), revealed that this α-conotoxin adopts a different binding orientation to that observed for other α-conotoxin AChBP complexes.
This is consistent with the nucleotide binding in a different orientation to that observed in cyclases.
The top ranked pose predicted for A66 binding to p110γ had a similar orientation to that predicted with p110α; however, the Chemscore fitness value was much lower, indicating a worse fit (Chemscore 7.29 compared with 17.46).
On the basis of the structure of this complex, a catalytic mechanism was proposed using a substrate binding orientation similar to that of the l-homoserine lactone inhibitor, but the opposite of that observed in enzyme−substrate and enzyme−product complex structures of related metallo-β-lactamase superfamily members (3, 12, 14, 15).
The remaining poses were furthermore clustered by RMSD with a 3 Å cut-off in order to have a coarser landscape of the possible binding poses, also considering we were not interested in running the free energy calculations on similar binding orientation that can interconvert within the simulations timescale.
The CMCT protection of U1963 suggests these peptolides all adopt a similar binding orientation such that their peptide moieties mimic the path a nascent peptide would traverse extending from the PTC to the proximity of the entrance to the exit tunnel.
After confirming the binding orientation, we hypothesized that contacts from HD1 and the FeS domain with the translocating strand of the DNA substrate would play an important role in controlling XPD translocation.
Docking studies show that dialkyation at C-2 and C-3 favors a binding with an orientation similar to that of the known selective inhibitor SC-558.
We therefore concentrated on changing the substrate binding orientation by altering residues that directly or indirectly contacted the alkene.
4',5'-ODCQA is found in the binding site in an orientation similar to that of 3',5'-ODCQA.
Moreover, molecular modeling simulations were also performed to predict preferential binding orientation of CENUs with tRNA that corroborates well with spectral outcomes.
