Interaction Scheme
Molecule
L-Leu-L-Trp
Host
CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 831.8 | ± 233.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -16.67 | ± 0.71 | -3.98 | ± 0.17 |
| ΔH | = | -3.6 | ± 0.4 | -0.86 | ± 0.1 |
| -TΔS | = | -13.1 | ± 0.3 | -3.13 | ± 0.07 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 43.9 | ± 1.0 | 10.5 | ± 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 L-Leu-L-Trp (0.024044241404183698 M) and CB6 (0 — 0.048088482808367396 M).
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