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Figure 3
The differences in the vicinity of the MGD2 cofactor between the SSX, cryo (PDB entry 6sdr) and C872A variant (PDB entry 8cm6) NvFdhAB structures in violet, black and orange, respectively, focusing on the key Gln409 and Met405 residues in the cascade of conformational changes that convey the activation/O2-protection signal from the surface redox switch to the buried W active site. In all representations, the W active site is shown in ball-and-stick representation; the W ion, sulfido group and Sec192 Se atom are shown as spheres (light blue, yellow and orange. respectively). Hydrogen bonds are shown as teal dashed lines. Distances are in Å. (a) Superposition of the SSX, cryo (PDB entry 6sdr) and C872A (PDB entry 8cm6) NvFdhAB structures. The water molecule in the cryo structure is shown as a burgundy sphere. (b) Reoriented view of the SSX NvFdhAB structure, highlighting the hydrogen-bonding interactions of Gln409. 2mFo − DFc electron-density maps are shown as a blue mesh at 1.0 r.m.s.d. |

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