Sentence examples for binding pockets according to from inspiring English sources
Khashan [12] developed FragVLib, a virtual library of fragments which enables finding bioisosteric replacements based on a subgraph matching tool that identifies similar binding pockets according to their 3D structures and chemical composition.
The last group of mutations are located close to the top (D109A, β3; N169K, β5) and central (V167A, β5) region of the cap-binding pocket (according to the orientation depicted in Figure 5).
Despite of that, reordering pockets according to the new scores led to improvements.
Our overlay of the structure of the active sites of A. niger 3-phytase and BtMinpp revealed that the latter has a larger and less polar ligand-binding pocket that, according to our molecular models, accepts InsP6 in several different orientations.
We defined a potential binding pocket for ztz240 according to the mutagenesis and electrophysiological data, which includes F137 and other residues essential for ztz240 to potentiate the channel.
They would be shared under a new system of permanent, binding EU quotas, according to Merkel.
To achieve comparability of the different binding sites, the binding pockets needed to be superimposed.
The general structure of these latter kinase inhibitors contains a hinge-binding group, usually pyridine or pyrimidine ('ring a'), a central imidazole scaffold occupying the ribose position in the ATP-binding pocket ('ring C') and a substituted aromatic group interacting with the hydrophobic pocket (BPII according to Liao's nomenclature) next to the gatekeeper residue ('ring B') (Fig 1).
First, residues near the substrate binding pocket of EcAppA were modified according to the consensus sequence of two highly active Citrobacter phytases.
Protein-ligand docking programs are used for the placement of small molecules within the binding pocket of target proteins (receptors) and to rank them according to their binding affinity [9, 10].
Residues G71, I74 and F91 that located in the substrate-binding pocket were selected to be substituted according to sequences alignment and homologous modeling.
