Interaction Scheme
Molecule
Mono-Trp Gly4 target
Host
CB8
Cofactor
Mono-methyl viologen Gly6 scaffold
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1.90⋅104 | ± 1000.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -24.59 | ± 0.13 | -5.88 | ± 0.03 |
| ΔH | = | -45.19 | ± 0.84 | -10.8 | ± 0.2 |
| -TΔS | = | 20.5 | ± 0.84 | 4.9 | ± 0.2 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -68.3 | ± 2.8 | -16.3 | ± 0.7 |
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 Mono-Trp Gly4 target (0.0010526315789473684 M) and CB8 (0 — 0.002105263157894737 M).
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