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. 2014 Oct 16;9(12):2864–2874. doi: 10.1021/cb500585s

Figure 5.

Figure 5

Structure of the benzothiazole cleft. (A) Representation of PHD–HD1 rear surface (as in Figure 1B, right), with CF4 bound to its cleft above the PHD–HD1 interface (4UP5; conserved HD1 T240 side-chain in stick representation). (B) Detailed view of CF4 (electron density contoured to 1.2 σ) interacting with the benzothiazole cleft (orange, interacting residues; yellow, noninteracting residues); dotted lines, hydrogen bonds (with PHD D380 and HD1 T240). (C, D) Ligplots of benzothiazoles binding to their cognate clefts of (C) PHD–HD1 and (D) p53_Y220C (as specified in key).