Interaction

curated

Interaction Scheme

Molecule

L arg arg arg
L-Arg-Arg-Arg

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.50⋅104 ± 9000.0 M-1
Kd =
logKa = 4.54 ± 0.11
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.94 ± 0.65 -6.2 ± 0.16
ΔH = -31.2 ± 0.5 -7.46 ± 0.12
-TΔS = 5.3 ± 1.1 1.27 ± 0.26
J mol-1 K-1 cal mol-1 K-1
ΔS = -17.8 ± 3.7 -4.2 ± 0.9
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:

F. Perret, J. Morel, N. Morel-Desrosiers, N. Douteau-Guével, A. W. Coleman, SupraBank 2024, Binding of dipeptides and tripeptides containing lysine or arginine by p-sulfonatocalixarenes in water: NMR and microcalorimetric studiesElectronic supplementary information (ESI) available: chemical shifts experienced by different protons of KK, RR, KKK or RRR in the presence of increasing amounts of 14 or 16; heat effects observed upon titration of 14, 16 or 18 by KK, RR, KKK or RRR; COSY and ROESY 2D 1H NMR spectra for 14 complexed with KK or RR. See http://www.rsc.org/suppdata/p2/b1/b109553f/ (dataset). https://doi.org/10.34804/supra.20210928255

Link: https://doi.org/10.34804/supra.20210928255
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

N. Douteau-Guével, F. Perret, A. W. Coleman, J.-P. Morel, N. Morel-Desrosiers, J. Chem. Soc., Perkin Trans. 2 2002, 524–532.

Link: https://doi.org/10.1039/B109553F
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Arg-Arg-Arg (0.0005714285714285715 M) and sCx4 (0 — 0.001142857142857143 M).