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It has also been demonstrated that hTLR2 possesses the di-acylated lipid binding pocket with a volume of ∼1200 Å3 and that hTLR1 has a single acylated lipid binding pocket with a volume of 400 Å3.
The X-ray analysis of bovine catalase shows that NADPH is located in a binding pocket with a novel architecture near the surface of the catalase tetramer, and makes no direct interaction with the more buried heme group of the enzyme.
All HHV proteases have a relatively shallow substrate binding pocket with a strict preference for alanine at P1 and serine at P1′.
This results in opening of the nucleotide binding pocket (with a strain (x -dependent rate constant k+5(x -dependentrate) before ADP leaves rapidly with rate constant k+5 x
WDR5-0103 occupies the binding pocket with a similar geometry to that of WDR5-0102, buthehe methoxy substituent induces a 2.5 Å shift of the benzamide ring in the upper shallow region of the pocket, which is accompanied by a motion of the amide linker and flipping of the Ser side chain.
The first complex structure of NS3Pro lacking the NS2B cofactor described by Murthy et al. (2000) revealed the interaction of the DENV2 NS3Pro binding pocket with a polypeptide-type Bowman-Birk inhibitor isolated from mung beans, this being the only structure of a complex of DENV2 NS3 available to date.
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For example, it is known that tafamidis added to plasma ex vivo at a concentration of 7.2 μM binds the two available TTR binding pockets with a stoichiometry of 0.81 tafamidis molecule per TTR tetramer.
In this study, the binding pockets with a score ≥ 0.8 were selected for molecular docking.
Our aim is to identify only binding pockets with a high affinity for aromatic groups, in which case a lower benzene concentration is more selective.
Formation of multimolecular complexes such as the apoptosome is handled by assigning binding pockets with a molecule like cytochrome c and then defining explicit rules of binding and dissociation at different binding pockets.
Superpositioning of the HydE and PylB crystal structures (PylB 3T7V, HydE 3CIW) shows comparable SAM and putative substrate binding pockets, with a root moon square deviation value of only 1.3 Å.
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