Sentence examples for binding pocket generated by from inspiring English sources
As predicted the square pyramidal Mn1 is in the third oxidation state and its coordination is completed by bonding to a μ3-hydroxide (Mn1 O21 2.126(3) Å), which is further bonded to Mn3 and Mn4 (2.152 3) and 2.155 3) Å, respectively), both of which are in the second oxidation state; Mn3 lies in the binding pocket generated by inversion.
Then, a binding pocket was generated.
Thus, TRAPs with novel binding specificity can be generated by mixing-and-matching TRAP pockets that have been selected to bind particular amino acids rather than performing new selections for every peptide target.
In this case a set of 3D conformations for the best 2D hits is generated and analogs optimally fitting the binding pocket are identified by overlap with the query ligand and by optimizing interactions with the protein.
Generation of putative binding modes: An initial binding mode for compound 1 was generated by manually docking the ligand into the ATP binding pocket of the TbGSK3 homology model with the requirement to establish hydrogen bonds to the hinge residues using Moloc.
Synchronised with the 2002 epidemic, an aa substitution occurs at potion 340 which generates an integrin-binding RGD motif, sterically close to both the binding pocket proposed by Tan et al [25] and the histo-blood group antigen (HBGA -binding site identified by Cao et al [24].
They are located in and near the binding pocket facilitated by crystal packing effects.
Especially, we observe a potential substrate binding pocket surrounded by hydrophobic residues upon NADPH binding and present evidences that this pocket is essential for BdcA binding NADPH and exerting its biological functions.
These drastic changes in measured TIF likely occur from slight changes in the binding pocket caused by different co-binding peptides P1, P2, and P3.
(B ) The binding pocket formed by hydrophobic residues (orange) that accommodate the crotonyl lysine.
Another possibility is that the ideal binding location of flucloxacillin is located in a different region of the binding pocket (as indicated by superimposition).
