Interaction Scheme
Molecule
L-Phe
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.20⋅106 | ± 7.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -34.7 | ± 1.65 | -8.29 | ± 0.39 |
| ΔH | = | -30.8 | ± 1.7 | -7.36 | ± 0.41 |
| -TΔS | = | -3.8 | ± 1.8 | -0.91 | ± 0.43 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 12.7 | ± 6.0 | 3.0 | ± 1.4 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | phosphate pH-2 with sodium |
| Solvents | water | |
| Additives | sodium ion | 6.0 mM |
| Phosphoric acid | ||
| Source of Concentration | ||
| Total concentration | 6.0 mM | |
| pH | 2.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. Kim, J. W. Lee, H. H. L. Lee, Y. H. Ko, H. I. Kim, SupraBank 2024, Deciphering the Specific High-Affinity Binding of Cucurbit[7]uril to Amino Acids in Water (dataset). https://doi.org/10.34804/supra.2021092873 |
| Link: | https://doi.org/10.34804/supra.2021092873 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. W. Lee, H. H. L. Lee, Y. H. Ko, K. Kim, H. I. Kim, J. Phys. Chem. B 2015, 119, 4628–4636. |
| Link: | https://doi.org/10.1021/acs.jpcb.5b00743 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Phe (1.6666666666666667e-05 M) and CB7 (0 — 3.3333333333333335e-05 M).
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