Interaction Scheme
Molecule
Phe-Gly-Gly
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.80⋅106 | ± 1.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -37.05 | ± 0.09 | -8.86 | ± 0.02 |
| ΔH | = | -73.22 | ± 0.42 | -17.5 | ± 0.1 |
| -TΔS | = | 36.4 | ± 0.42 | 8.7 | ± 0.1 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -121.3 | ± 1.4 | -29.0 | ± 0.3 |
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: | syringe | ||
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: |
A. R. Urbach, J. M. Chinai, A. B. Taylor, L. M. Ryno, N. D. Hargreaves, C. A. Morris, P. J. Hart, SupraBank 2025, Molecular Recognition of Insulin by a Synthetic Receptor (dataset). https://doi.org/10.34804/supra.20210928195 |
| Link: | https://doi.org/10.34804/supra.20210928195 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. M. Chinai, A. B. Taylor, L. M. Ryno, N. D. Hargreaves, C. A. Morris, P. J. Hart, A. R. Urbach, J. Am. Chem. Soc. 2011, 133, 8810–8813. |
| Link: | https://doi.org/10.1021/ja201581x |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Phe-Gly-Gly (7.142857142857143e-06 M) and CB7 (0 — 1.4285714285714285e-05 M).
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