Basal Glutathionylation of Na,K-ATPase α-Subunit Depends on Redox Status of Cells during the Enzyme Biosynthesis

Table 5

RMSD between initial (PDB ID 3WGU) and model structures of Na,K-ATPase with SS bridges between pair of Cys residues (SS RMSD) and between Cys residue and glutathione (Cys-SSG RMSD) after local and global minimization.

Pairs of Cys residues	SS RMSD,; local minimization	Glutathionylated Cys	Cys-SSG RMSD,; local minimization
204–242	0.12	204	0.09
367–698	0.14	698	0.08
452–456	0.12	452	0.05

Local minimization: minimization within a radius of 4.5 Å from the thiol groups of each cysteine residue in MMFF94x force field.