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![[Figure 5]](xh5061fig5mag.jpg)
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Figure 5
SSX dose-dependent structural changes of Compound I [Fe(IV)=O] in DtpB. 2Fo − Fc (blue mesh, 1.5σ) maps of the heme active site for selected chains are shown, where three distinct behaviours can be observed: (i) a gradual loss of electron density around the Fe—O bond accompanied by a slow increase in Fe–O distance (chains A, shown, and D, not shown), (ii) a rapid loss of electron density around the Fe—O group (chain B) and (iii) a gradual loss of electron density with a pronounced elongation of the Fe—O bond to ∼2.5 Å (chains C, shown, and E and F, not shown), consistent with conversion from a Compound I-like species to a water-bound state (chain C; boxed area). O atoms are shown as red spheres and water molecules as white spheres. |
![[Figure 5]](xh5061fig5.jpg)
 | STRUCTURAL BIOLOGY |
ISSN: 2059-7983
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