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. 2023 Nov 1;62(45):18607–18624. doi: 10.1021/acs.inorgchem.3c02910

Table 4. Stability Constants (log β) and pKa Values of the Mn(II)/Peptide Systemsa.

peptide species log βb pKac deprotonating residue
P1 [MnH4L]+ 37.88(6)    
  [MnH3L] 31.42(5) 6.46 His
  [MnH2L] 23.23(7) 8.19 Cys
  [MnHL]2– 14.46(7) 8.77 Cys
  [MnLH–1]4– –6.07(4)   Cys, Owater
P2 [MnH5L]6+ 42.29(4)    
  [MnH4L]5+ 38.65(2) 3.64 Glu
  [MnH3L]4+ 33.45(3) 5.20 His
  [MnH2L]3+ 26.12(4) 7.33 Cys
  [MnHL]2+ 17.53(4) 8.59 Cys
  [MnL]+ 8.20(4) 9.33 Cys
  [MnLH–2]2– –12.21(4)   Owater, Owater/Owater, Lys
a

T = 298 K; I = 0.1 M NaClO4; standard deviations (3σ values) are given in parentheses.

b

Overall stability constants (β) expressed by the equation β([MnHnL](n+2)+) = [[MnHnL](n+2)+]/[Mn(II)][[L]n+][H+]n).

c

Acid dissociation constants (pKa) expressed as pKa = log β([MnHnL](n+2)+) – log β([MnHn–1L](n+1)+).