Interaction Scheme
Molecule
3-Indolepropionic acid
c = 0.0 — 2500.0 µM
Host
CB8
c = 1000.0 µM
Cofactor
Methyl viologen
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2300.0 | ± 400.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.32 | ± 0.44 | -4.62 | ± 0.11 |
| ΔH | = | -53.14 | ± 1.67 | -12.7 | ± 0.4 |
| -TΔS | = | 33.47 | ± 2.09 | 8.0 | ± 0.5 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -111.5 | ± 7.0 | -26.7 | ± 1.7 |
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: | cell | ||
| Cofactor: | cell | ||
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, M. E. Bush, N. D. Bouley, SupraBank 2025, Charge-Mediated Recognition of N-Terminal Tryptophan in Aqueous Solution by a Synthetic Host (dataset). https://doi.org/10.34804/supra.20210928165 |
| Link: | https://doi.org/10.34804/supra.20210928165 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
M. E. Bush, N. D. Bouley, A. R. Urbach, J. Am. Chem. Soc. 2005, 127, 14511–14517. |
| Link: | https://doi.org/10.1021/ja0548440 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 3-Indolepropionic acid (0.008695652173913044 M) and CB8 (0 — 0.017391304347826087 M).
Please sign in: customize the simulation by signing in to the SupraBank.
