Interaction Scheme
Molecule
2-naphthol
c = 1000.0 µM
Host
CB8
c = 100.0 µM
Cofactor
MDAP
c = 100.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.50⋅105 | ± 2.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.81 | ± 0.2 | -7.36 | ± 0.05 |
| ΔH | = | -61.0 | ± 1.2 | -14.58 | ± 0.29 |
| -TΔS | = | 30.2 | ± 1.4 | 7.22 | ± 0.33 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -101.3 | ± 4.7 | -24.2 | ± 1.1 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
| Cofactor: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
W. M. Nau, O. A. Scherman, F. Biedermann, A. De Simone, M. Vendruscolo, SupraBank 2025, Cucurbit[8]uril and Blue-Box: High-Energy Water Release Overwhelms Electrostatic Interactions (dataset). https://doi.org/10.34804/supra.20210928368 |
| Link: | https://doi.org/10.34804/supra.20210928368 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
F. Biedermann, M. Vendruscolo, O. A. Scherman, A. De Simone, W. M. Nau, J. Am. Chem. Soc. 2013, 135, 14879–14888. |
| Link: | https://doi.org/10.1021/ja407951x |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 2-naphthol (8.0e-05 M) and CB8 (0 — 0.00016 M).
Please sign in: customize the simulation by signing in to the SupraBank.
