Interaction Scheme
Molecule
Gly-L-Ala
Host
sCx6-sodium salt
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2951.21 | ± 272.2 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.81 | ± 0.23 | -4.73 | ± 0.05 |
| ΔH | = | -38.2 | ± 1.2 | -9.13 | ± 0.29 |
| -TΔS | = | 18.4 | ± 2.2 | 4.4 | ± 0.53 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -61.7 | ± 7.4 | -14.7 | ± 1.8 |
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 | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Buschmann, L. Mutihac, E. Schollmeyer, SupraBank 2024, Complexation of Some Amino Acids and Peptides by p-Sulfonatocalix[4]arene and Hexasodium p-Sulfonatocalix[6]arene in Aqueous Solution (dataset). https://doi.org/10.34804/supra.20210928235 |
| Link: | https://doi.org/10.34804/supra.20210928235 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H.-J. Buschmann, L. Mutihac, E. Schollmeyer, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2003, 46, 133–137. |
| Link: | https://doi.org/10.1023/A:1026361017680 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-L-Ala (0.006776881346972937 M) and sCx6-sodium salt (0 — 0.013553762693945873 M).
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