Table 2 Equilibrium constants and proposed coordination modes for Zn2+ complexes at T = 298 K and I = 0.1 M (KCl).

From: Impact of C- and N-terminal protection on the stability, metal chelation and antimicrobial properties of calcitermin

Species

Ac-VAIALKAAHYHTHKE (L1)

Ac-VAIALKAAHYHTHKE-NH2 (L2)

logβ

pKa

Coordination

logβ

pKa

Coordination

[ZnH2L]4+

20.29(6)

6.14

2NIm

[ZnHL]3+

11.00(5)

5.80

2NIm

14.15(4)

7.63

3NIm

[ZnL]2+

5.21(2)

7.33

3NIm

6.52(5)

8.93

3NIm, OH

[ZnH-1L]+

 − 2.12(3)

3NIm, OH

 − 2.41(7)

9.44

3NIm, 2OH

[ZnH-2L]

   

 − 11.85(3)

3NIm, 2OH

Species

VAIALKAAHYHTHKE-NH2 (L3)

   

logβ

pKa

Coordination

[ZnH5L]5+

48.7(1)

5.6

2NIm

   

[ZnH4L]4+

43.07(3)

7.32

3NIm

   

[ZnH3L]3+

35.75(6)

7.69

3NIm, OH

   

[ZnH2L]2+

28.06(4)

8.65

3NIm, OH

   

[ZnHL]+

19.40(5)

9.47

3NIm, 2OH

   

[ZnL]

9.94(4)

3NIm, 2OH

   

[ZnH-2L]2–

 − 10.70(7)

3NIm, 2OH

   
  1. Values in parentheses are standard deviations on the last significant figure.