Interaction Scheme
Molecule
Tri-Trp Gly4 target
Host
CB8
Cofactor
tri-methyl viologen scaffold
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 4.70⋅106 | ± 8.00⋅105 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -38.34 | ± 0.43 | -9.16 | ± 0.1 |
| ΔH | = | -164.85 | ± 5.86 | -39.4 | ± 1.4 |
| -TΔS | = | 125.94 | ± 6.28 | 30.1 | ± 1.5 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -419.6 | ± 20.9 | -100.3 | ± 5.0 |
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: | syringe | ||
| Cofactor: | 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. J. Reczek, A. A. Kennedy, B. T. Halbert, SupraBank 2024, Multivalent Recognition of Peptides by Modular Self-Assembled Receptors (dataset). https://doi.org/10.34804/supra.20210928199 |
| Link: | https://doi.org/10.34804/supra.20210928199 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
J. J. Reczek, A. A. Kennedy, B. T. Halbert, A. R. Urbach, J. Am. Chem. Soc. 2009, 131, 2408–2415. |
| Link: | https://doi.org/10.1021/ja808936y |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Tri-Trp Gly4 target (4.255319148936171e-06 M) and CB8 (0 — 8.510638297872341e-06 M).
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