Fig. 9: Hydrophobic and aromatic contacts between the aromatic ring of W580 of MALT1(PCASP-Ig3)339–719 at the interface of the PCASP and Ig3 domains. | Communications Biology

Fig. 9: Hydrophobic and aromatic contacts between the aromatic ring of W580 of MALT1(PCASP-Ig3)339–719 at the interface of the PCASP and Ig3 domains.

From: Insights into mechanisms of MALT1 allostery from NMR and AlphaFold dynamic analyses

Fig. 9

a depicts the hydrophobic pocket observed in the X-ray structure (PDB code 3V55) of the apo form where the aromatic ring of W580 faces inward into the allosteric site; (b) shows interactions observed in the X-ray structure of the complex MALT1(PCASP-Ig3)339–719 (PDB code 7AK1) with an inhibitor in the allosteric site, where aromatic ring of W580 faces outward, i.e. away from the allosteric site. The hydrophobic contacts are shown by blue dotted lines, and aromatic-aromatic interactions are indicated by pink dotted lines.

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