Interaction Scheme
Molecule
N-Acetyl-L-Trp
c = 0.0 — 1250.0 µM
Host
CB8
c = 500.0 µM
Cofactor
Methyl viologen
c = 500.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 3100.0 | ± 100.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -20.06 | ± 0.08 | -4.79 | ± 0.02 |
| ΔH | = | -46.44 | ± 0.42 | -11.1 | ± 0.1 |
| -TΔS | = | 25.94 | ± 0.42 | 6.2 | ± 0.1 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -86.4 | ± 1.4 | -20.7 | ± 0.3 |
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 2024, 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 N-Acetyl-L-Trp (0.0064516129032258064 M) and CB8 (0 — 0.012903225806451613 M).
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