Interaction Scheme
Molecule
Ac-GKG-NH2
Host
sCx5-6C
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 8980.0 | ± 510.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -22.57 | ± 0.14 | -5.39 | ± 0.03 |
| ΔH | = | -15.9 | ± 0.3 | -3.8 | ± 0.07 |
| -TΔS | = | -6.7 | ± 0.46 | -1.6 | ± 0.11 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 22.5 | ± 1.5 | 5.4 | ± 0.4 |
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 HEPES pH-7.4 |
| Solvents | water | 100.0 % |
| Additives | Hepes | 10.0 mM |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. Nau, D. Guo, Y. Pan, A. Barba-Bon, H. Tian, F. Ding, A. Hennig, SupraBank 2024, An Amphiphilic Sulfonatocalix[5]arene as an Activator for Membrane Transport of Lysine‐rich Peptides and Proteins (dataset). https://doi.org/10.34804/supra.2021092888 |
| Link: | https://doi.org/10.34804/supra.2021092888 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
Y. C. Pan, A. Barba‐Bon, H. W. Tian, F. Ding, A. Hennig, W. M. Nau, D. S. Guo, Angew. Chem. Int. Ed. 2020, 60, 1875–1882. |
| Link: | https://doi.org/10.1002/anie.202011185 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Ac-GKG-NH2 (0.0022271714922048997 M) and sCx5-6C (0 — 0.004454342984409799 M).
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