Figures & data
Figure 2. Structure of the phopshopeptide AAPpYLKT (stick), bound to the STAT3 SH2 domain (shown as protein surface) obtained from the structure of the STAT3β homodimer co-crystallized with a DNA fragment. The two pockets interacting with the residues pTyr705 and Leu706 of the phosphopeptide are highlighted.
![Figure 2. Structure of the phopshopeptide AAPpYLKT (stick), bound to the STAT3 SH2 domain (shown as protein surface) obtained from the structure of the STAT3β homodimer co-crystallized with a DNA fragment. The two pockets interacting with the residues pTyr705 and Leu706 of the phosphopeptide are highlighted.](/cms/asset/b85f23f1-b546-4c84-84bc-7b2db9b406a5/ienz_a_1079184_f0002_b.jpg)
Figure 3. (A) Structure of the phosphopeptide AAPpYLKT (dark grey) bound to the STAT3 SH2 domain; the residues of the SH2 domain interacting with the pTyr705-Leu706 portion of the peptide and delimiting the pY pocket and the pY+1 pocket are shown (light grey). The main H-bonds detected in the complex are highlighted as black dashed lines. (B) Receptor-based pharmacophore model used for the VS study; the reference peptide (stick) together with the negative (N27), aromatic (R30), H-bond donor (D17) and hydrophobic (H24) features are shown; the excluded volume spheres are shown in light grey.
![Figure 3. (A) Structure of the phosphopeptide AAPpYLKT (dark grey) bound to the STAT3 SH2 domain; the residues of the SH2 domain interacting with the pTyr705-Leu706 portion of the peptide and delimiting the pY pocket and the pY+1 pocket are shown (light grey). The main H-bonds detected in the complex are highlighted as black dashed lines. (B) Receptor-based pharmacophore model used for the VS study; the reference peptide (stick) together with the negative (N27), aromatic (R30), H-bond donor (D17) and hydrophobic (H24) features are shown; the excluded volume spheres are shown in light grey.](/cms/asset/286ad5c9-64cb-4e59-99c6-cb2ce7bce848/ienz_a_1079184_f0003_b.jpg)
Figure 4. Structure of the pTyr705-Leu706 dipeptide (black stick) docked into the STAT3 SH2 domain (shown as protein surface) superimposed to the bound phosphopeptide AAPpYLKT (dark grey stick).
![Figure 4. Structure of the pTyr705-Leu706 dipeptide (black stick) docked into the STAT3 SH2 domain (shown as protein surface) superimposed to the bound phosphopeptide AAPpYLKT (dark grey stick).](/cms/asset/19b38a61-f00f-44c2-8068-411e20c0c161/ienz_a_1079184_f0004_b.jpg)