Interaction

curated

Interaction Scheme

Molecule

Untitled
L-Lys

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1400.0 ± 100.0 M-1
Kd =
logKa = 3.15 ± 0.03
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.96 ± 0.18 -4.29 ± 0.04
ΔH = -19.4 ± 0.3 -4.64 ± 0.07
-TΔS = 1.4 ± 0.4 0.33 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -4.7 ± 1.3 -1.1 ± 0.3
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Molecule: syringe
Partner: syringe
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water
Additives hydrochloric acid 100.0 mM
pH 1.0
Please find here information about the dataset this interaction is part of.
Citation:

J. Morel, N. Morel-Desrosiers, N. Douteau-Guével, A. W. Coleman, SupraBank 2024, Complexation of the basic amino acids lysine and arginine by three sulfonatocalix[n]arenes (n = 4, 6 and 8) in water: microcalorimetric determination of the Gibbs energies, enthalpies and entropies of complexation (dataset). https://doi.org/10.34804/supra.20210928207

Link: https://doi.org/10.34804/supra.20210928207
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Douteau-Guével, A. W. Coleman, J.-P. Morel, N. Morel-Desrosiers, J. Chem. Soc., Perkin Trans. 2 1999, 629–634.

Link: https://doi.org/10.1039/A806855K
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Lys (0.014285714285714285 M) and sCx4 (0 — 0.02857142857142857 M).