 | Acta Crystallographica Section F Acta Crystallographica Section F STRUCTURAL BIOLOGY COMMUNICATIONS |
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![[Figure 1]](uf5002fig1mag.jpg)
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Figure 1
View of ebselen attached to Cys141 (PDB entry 6zk0). (a) Overview of two ebselen molecules attached to the A and A′ (symmetry-related) subunits around the crystallographic twofold axis. One subunit (A) has C atoms in orange and the second subunit (A′) has C atoms in slate blue (N atoms are blue, O atoms are red, Se atoms are orange and S atoms are yellow-orange). C atoms in one ebselen are yellow and those in the second ebselen are cyan. Hydrogen bonds near ebselen are indicated by dotted lines. (b) Chemical structures of ebselen and ring-opened ebselen on Cys141 (drawn with Marvin; https://www.chemaxon.com). (c) Final ebselen OMIT map (Fo − Fc; 3σ, green; 15σ, blue). Note that the peaks on the seleniums (blue mesh) are 20.5σ and 19.6σ in this ebselen OMIT map. (d) Original DIMPLE (Wojdyr et al., 2013  ) 2Fo − Fc map (1σ, light blue) and Fo − Fc difference map (3σ, orange). For subunit A the DIMPLE-refined structure with waters (small red spheres) refined into the density for the ebselen is shown. For the A′ subunit the `final' coordinates (including ebselen) are shown. |
![[Figure 1]](uf5002fig1.jpg)
| STRUCTURAL BIOLOGY COMMUNICATIONS |
ISSN: 2053-230X
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