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Based on key residues information, the model of HWTX-XI was docking to fit the surface of the pocket region of KV1.1 manually for KV1.1/toxin complex construction (Methods S4).
Ser167 protruding from the surface of the pocket is in the vicinity (4.6Å) of C7 of the indole moiety.
Sew on anything you want on the surface of the pocket to decorate it the way you want.
Similar(57)
In addition, structural examination of c.5072C>A/p.Thr1691Lys showed that the alteration significantly disturbed the surface of the binding pocket interacting with the BACH1 phosphorylated peptide [ 28– 30].
The formation of optimal lipophilic contacts with the surface of the thrombin S3 pocket and the full desolvation of this pocket can conflict with the formation of an optimal hydrogen bond between ligand and protein.
Due to the presence of a unique peptide for each X-ray crystal, we conducted the docking with and without a peptide covering the solvent-accessible surface of the antigen-binding pocket.
ECL2 shares common structural features between (and sometimes across) receptor sub-families and can facilitate ligand entry to the TM core or act directly as a surface of the ligand-binding pocket.
Leucine 100 is located in the palm, on the surface of the NNRTI-binding pocket.
Similarly, a high level of conservation is seen for residues forming the surface of the proximal binding pocket.
The surface of the ATP-binding pocket in p110α is surrounded by hydrophobic residues, and there is some space created by the hydrophobic residues around the naphthalene ring of FK-A11 (Fig. 4c).
Structural analysis of these sites has revealed that all the mutated residues are present on the surface of the substrate interaction pocket (Barbieri et al., 2012; Zhuang et al., 2009).
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