Table 1 Equilibrium constants and proposed coordination modes for Cu2+ 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

[CuH2L]4+

18.21(3)

4.40

NIm, COO

23.06(4)

5.49

2NIm

[CuHL]3+

13.81(2)

5.38

2NIm, COO

17.57(5)

6.30

3NIm

[CuL]2+

8.43(2)

6.59

3NIm

11.27(7)

6.70

3NIm, N

[CuH-1L]+

1.84(3)

6.88

3NIm, N

4.57(6)

9.44

2NIm, 2N

[CuH-2L]

 − 5.04(3)

2NIm, 2N

 − 4.87(9)

9.91

2NIm, 2N

[CuH-3L]

 − 14.78(7)

NIm, 3N

Species

VAIALKAAHYHTHKE-NH2 (L3)

   

logβ

pKa

Coordination

[CuH5L]5+

51.38(2)

5.16

2NIm

   

[CuH4L]4+

46.21(2)

6.21

3NIm

   

[CuH3L]3+

40.00(3)

6.90

2NIm, NH2

   

[CuH2L]2+

33.11(2)

7.75

2NIm, NH2, N

   

[CuHL]+

25.36(3)

9.53

2NIm, 2N

   

[CuL]

15.83(5)

10.01

2NIm, 2N

   

[CuH-1L]

5.82(4)

NIm, 3N

   

[CuH-3L]3–

 − 15.03(9)

NIm, 3N

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