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

Table 3. Stability Constants (log β) and pKa Values of the Zn(II)/Peptide Systemsa.

peptide species log βb pKac deprotonating residue
P1 [ZnH2L] 26.97(2)    
  [ZnHL]2– 21.06(2) 5.91 His
  [ZnL]3– 13.79(4) 7.27 Cys
  [ZnLH–1]4– 3.58(4) 10.21 Owater
P2 [ZnH2L]3+ 26.65(4)    
  [ZnHL]2+ 20.91(2) 5.74 His
  [ZnL]+ 13.16(6) 7.75 Cys
  [ZnLH–1] 3.51(6) 9.65 Owater
  [ZnLH–2] –7.16(6) 10.57 Owater/Lys
a

T = 298 K; I = 0.1 M NaClO4; standard deviations are given in parentheses.

b

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

c

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