Interaction Scheme
Molecule
L-Arg-Arg-Arg
Host
sCx6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1600.0 | ± 800.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.29 | ± 1.36 | -4.37 | ± 0.33 |
| ΔH | = | -54.0 | ± 11.0 | -12.91 | ± 2.63 |
| -TΔS | = | 36.0 | ± 12.0 | 8.6 | ± 2.87 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -120.7 | ± 40.2 | -28.9 | ± 9.6 |
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
| 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 |
| 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 |
| Export: | BibTex | RIS | EndNote |
| 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 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Arg-Arg-Arg (0.0125 M) and sCx6 (0 — 0.025 M).
