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The binding pocket was identified using Q-SiteFinder [46].
By using the built-in pocket finder, the binding pocket was identified.
In the structure of the MBL-like protein, the low occupancy of GMP at the Mn binding pocket was identified when the compound was cocrystallized with GMP-PNP.
Similar(57)
Three amino acid substitutions (Asn89His, Gln153Glu, and Leu205Arg), two of them are near the active site and substrate binding pocket, were identified by sequencing the genes encoding this evolved enzyme.
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.
Two similar basic aromatic rings located deep in the binding pocket are identified as important for activity.
By scanning binding pockets, not only the ligand binding sites of a given protein can be identified, but also protein residues within a suitable range of the binding pocket are identified, which could be used for analysis of functional sites and comparison.
Five novel binding pockets were identified, each providing potential opportunities for inhibitor design.
Binding pockets are identified by the spatial clustering of the center of mass of template-bound ligands that are subsequently ranked by the number of binding ligands.
Structural models were available for 269 of the 283 identified EGs, in which a total of 919 binding pockets were identified.
Then, a binding pocket was generated.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com