Interaction Scheme
Molecule
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.00⋅106 | ± 9.60⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -37.94 | ± 0.61 | -9.07 | ± 0.15 |
| ΔH | = | -60.67 | ± 0.42 | -14.5 | ± 0.1 |
| -TΔS | = | 22.59 | ± 0.84 | 5.4 | ± 0.2 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -75.3 | ± 2.8 | -18.0 | ± 0.7 |
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: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-7.0 |
| Solvents | water | 100.0 % |
| Additives | Disodium hydrog... | 5.8 mM |
| Sodium dihydro... | 4.2 mM | |
| Source of Concentration | estimated | |
| Total concentration | 10.0 mM | |
| pH | 7.0 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. A. Logsdon, A. R. Urbach, V. Ramalingam, C. L. Schardon, S. K. Kwee, SupraBank 2024, Nanomolar Binding of Peptides Containing Noncanonical Amino Acids by a Synthetic Receptor (dataset). https://doi.org/10.34804/supra.20210928223 |
| Link: | https://doi.org/10.34804/supra.20210928223 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. A. Logsdon, C. L. Schardon, V. Ramalingam, S. K. Kwee, A. R. Urbach, J. Am. Chem. Soc. 2011, 133, 17087–17092. |
| Link: | https://doi.org/10.1021/ja207825y |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of tBu Phe (5.0e-06 M) and CB7 (0 — 1.0e-05 M).
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