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. 2016 May 25;72(Pt 6):753–760. doi: 10.1107/S2059798316005532

Figure 4.

Figure 4

Crystallographic structure of the S100B–SC0025 complex. (a) SC0025 (ball-and-stick representation) is shown within site 3 of the S100B dimer (surface rendering with site 3 highlighted in gray). An |F o| − |F c| electron-density OMIT map (orange) of SC0025 is also shown with the map contoured at the 2.5σ level. (b) Dimeric S100B is rendered in a ribbon diagram with residues (sticks) within 4 Å of the SC0025 (ball-and-stick representation) highlighted in gray. SC0025 is situated within the pocket formed by Ile11 and Asp12 of helix 1′ and Cys84, His85 and Phe88 of helix 4. Polar interactions are available to SC0025 at the side chain of Asp12 and the backbones of Cys84 and His85.