Fig. 3: Molecular docking reveals hierarchy of reactivity of GLRX cysteines with GSSG.

The docking pose corresponds to the lowest S-S distance of GSSG docked to the proximity of A C8. B C23. C C26. D C79 and E C83. The sulfur groups on cysteines are shown as yellow spheres and the GSSG ligand is shown in sticks. The yellow dashed lines show the S-S distances labeled with numbers in Å. F Summary of docking scores for each panel. The reported scores are the ones of the poses representing the lowest distance between S-S groups. **All numbers in Panels A–E are distances in angstrom.