Interaction Scheme
Molecule
Ac-Lys-OMe
Host
Molecular Tweezer-lithium diphosphate
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.84⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -27.2 | -6.5 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
| Nucleus | 1H | ||
| = | 3.91 ppm | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 100 mM phosphate pH-7.2 |
| Solvents | water | |
| Source of Concentration | ||
| Total concentration | 100.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
P. Talbiersky, T. Schrader, F. Bastkowski, F. Klärner, SupraBank 2024, Molecular Clip and Tweezer Introduce New Mechanisms of Enzyme Inhibition (dataset). https://doi.org/10.34804/supra.20211020407 |
| Link: | https://doi.org/10.34804/supra.20211020407 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
P. Talbiersky, F. Bastkowski, Klärner Frank-Gerrit, T. Schrader, J. Am. Chem. Soc. 2008, 130, 9824–9828. |
| Link: | https://doi.org/10.1021/ja801441j |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Ac-Lys-OMe (0.00034275921165381317 M) and Molecular Tweezer-lithium diphosphate (0 — 0.0006855184233076263 M).
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