Interaction Scheme
Molecule
Gly-L-Ala
Host
CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 631.0 | ± 43.6 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -15.98 | ± 0.17 | -3.82 | ± 0.04 |
| ΔH | = | -2.4 | ± 0.1 | -0.57 | ± 0.02 |
| -TΔS | = | -13.5 | ± 0.2 | -3.23 | ± 0.05 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 45.3 | ± 0.7 | 10.8 | ± 0.2 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | ITC | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 50.0 % |
| Formic acid | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Buschmann, L. Mutihac, R. Mutihac, E. Schollmeyer, SupraBank 2024, Complexation behavior of cucurbit[6]uril with short polypeptides (dataset). https://doi.org/10.34804/supra.20231018498 |
| Link: | https://doi.org/10.34804/supra.20231018498 |
| 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, R.-C. Mutihac, E. Schollmeyer, Thermochimica Acta 2005, 430, 79–82. |
| Link: | https://doi.org/10.1016/j.tca.2005.01.002 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-L-Ala (0.03169572107765452 M) and CB6 (0 — 0.06339144215530904 M).
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