Interaction

curated

Interaction Scheme

Molecule

Untitled
L-Arg

Host

Scx6
sCx6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 186.0 ± 7.0 M-1
Kd =
logKa = 2.27 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -12.95 ± 0.09 -3.1 ± 0.02
ΔH = -41.2 ± 0.5 -9.85 ± 0.12
-TΔS = 28.2 ± 0.6 6.74 ± 0.14
J mol-1 K-1 cal mol-1 K-1
ΔS = -94.6 ± 2.0 -22.6 ± 0.5
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 Buffer System 10 mM phosphate pH-8.0
Solvents water
Additives Sodium dihydrog...
Disodium hydrog...
Source of Concentration
Total concentration 10.0 mM
pH 8.0
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-Arg (0.10752688172043011 M) and sCx6 (0 — 0.21505376344086022 M).