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There is no complete 3D structure for the 928 aa large protein but several binding pockets have been described (Fig. 1a).
Moreover, similar electron density differences between the two hormone binding pockets have been observed in many of the previously reported structures including the TTR∶oxime-ether crystal structure [39].
The residues which form the active site catalytic triad, and the S5 S1 binding pockets, have been well characterized for both HNV and MNV protease.
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Whilst all the homology-modelled sheep antibodies possess pocket-like binding sites with various shapes and sizes (Fig. 2), the development of more compact binding pockets has been attributed to closure of the VL-VH interface of the anti-hapten antibodies and improved binding sensitivities [ 28].
This Manyanisimilarsystemse same principle as our proposed mechanism: Mg1 2+ coordinates the nucleophile and Mg2 2+ coordinates the leaving oxygen atom (O3′).
Docking experiments of compounds 2c, 3b, 3h, 3j, and 3k into COX-2 binding pocket have been conducted, where strong binding interactions have been identified and effective overall docking scores have been recorded.
The aromatic residues in the binding pocket have been replaced by aliphatic residues, suggesting a likely aliphatic scaffold of the substrate unlike auxin (not shown).
Two spatial clusters of silencing mutations flanking the allosteric binding pocket have been described in [ 10].
A docking study on the μ-opioid receptor binding pocket has been carried out for ligands 3 11.
For example, in GAPDH, nitrosylation of C152, which is in the NAD binding pocket, has been shown to abolish the catalytic activity of GAPDH by recruiting the E3-ubiquitin-ligase Siah1 [45], [45].
More recently, a model of STA-21 interaction with the Stat3 SH2 pY-peptide binding pocket has been proposed, which featured the 1-oxygen of STA-21 binding to the side chain ammonium hydrogen of R609 within the pY-residue binding site.
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