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. 2019 Jan 18;62(3):1626–1642. doi: 10.1021/acs.jmedchem.8b01884

Figure 6.

Figure 6

Structural superpositions of the natural mouse β2c (A,C) and β2i (B,D) subunits with their human–yeast chimeric counterparts in the ligand-free (A,B) and ONX 0914-bound (C,D) states. Amino acids are labeled by the one-letter code. Hydrogen bonds are depicted by black dashed lines. Hydrophobic interactions are highlighted by double arrows. Color coding is according to Figure 5. Note that ONX 0914 has been previously modeled into the mouse β2 subunits as a morpholine adduct with Thr1,13d whereas in the chimeric subunits it was built as a seven-membered ring structure according to the revised reaction mechanism of epoxyketones with Thr1.21 PDB IDs: 3UNE (mouse cCP), 3UNH (mouse iCP), 3UNB (mouse cCP:ONX 0914), 3UNF (mouse iCP:ONX 0914), 6HTB (hβ2c chimera), 6HV3 (hβ2i chimera), 6HTC (hβ2c chimera:ONX 0914), 6HV4 (hβ2i chimera:ONX 0914).