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. 2023 Jun 2;14(7):949–954. doi: 10.1021/acsmedchemlett.3c00104

Figure 1.

Figure 1

(a) Top view and (b) side view of the crystal structure (PDB ID: 4CC9) of the human E3 ligase substrate adaptor DCAF1 extracted from the ternary complex with the viral accessory protein X (Vpx) and the carboxy-terminal region of human SAMHD1 (not shown). The “top” and “bottom” surfaces are displayed on the right and left of panel (b), respectively. Residues 1315–1327 are not visible in the crystal structure. The Cα atom of the last visible residues, 1314 and 1328 belonging to blade 6, are marked with a green sphere. The white and black spheres indicate the two pocket locations as identified by SiteMap and fpocket. The white spheres correspond to the large ligandable donut hole pocket. The black spheres indicate the location of the blade region, an additional less druggable cavity that lies between blade 1 (colored in blue) and blade 2 (in pink). Each blade (numbered in the picture from 1 to 7) is constituted by a four-stranded antiparallel β-sheet. Strands are labeled from (a) to (d) from the inside toward the outside of the propeller.