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. 2021 Jul 19;6(29):18635–18650. doi: 10.1021/acsomega.1c01320

Figure 2.

Figure 2

Cocrystal structure of 4 in MMP. The compound is positioned proximal to the triad of histidines, shown at right, that coordinate the catalytic zinc (pale blue sphere). Compound 4 makes two hydrogen bonds with bound waters (red spheres) and a hydrogen bond with the backbone carbonyl of Phe241. Compound 4 is completely enclosed within the protein. The scheme at right indicates the overlapping portions of 1 and 4.