Interaction

curated

Interaction Scheme

Molecule

Rkme3st
RKme3ST

c = 270.0 µM

Host

Scx4
sCx4

c = 67.5 — 945.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.77⋅104 ± 3000.0 M-1
Kd =
logKa = 4.44 ± 0.05
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.78 ± 0.27 -6.16 ± 0.06
ΔH = -22.7 -5.43
-TΔS = -1.9 -0.45
J mol-1 K-1 cal mol-1 K-1
ΔS = 6.3 1.5
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 40 mM PBS pH-7.4
Solvents water
Additives sodium chloride 137.0 mM
Disodium hydrog... 30.2 mM
Sodium dihydrog... 9.8 mM
potassium chloride 2.7 mM
Source of Concentration
Total concentration 40.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

K. D. Daze, F. Hof, C. S. Beshara, C. E. Jones, B. J. Lilgert, SupraBank 2025, Determining the effects of salt, buffer, and temperature on the complexation of methylated ammonium ions and methyllysines by sulfonated calixarenes (dataset). https://doi.org/10.34804/supra.2021092877

Link: https://doi.org/10.34804/supra.2021092877
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. D. Daze, C. E. Jones, B. J. Lilgert, C. S. Beshara, F. Hof, Can. J. Chem. 2013, 91, 1072–1076.

Link: https://doi.org/10.1139/cjc-2013-0186
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of RKme3ST (0.0007220216606498195 M) and sCx4 (0 — 0.001444043321299639 M).