Interaction Scheme
Molecule
L-Lys
c = 0.0 — 2000.0 µM
Host
CyP6Q[6]
c = 1000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.23⋅104 | M-1 | |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -24.82 | -5.93 | ||
| ΔH | = | -35.66 | -8.52 | ||
| -TΔS | = | 10.85 | 2.59 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -36.4 | -8.7 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | Nano isothermal calorimeter | ||
| VCell | = | 1000.0 𝜇L | |
| VSyringe | = | 250000.0 𝜇L | |
| cmolecule | = | 10000.0 𝜇M syringe | |
| cpartner | = | 1000.0 𝜇M cell | |
| Ninjection | = | 25 | |
| Vinjection | = | 10.0 𝜇L | |
Detailed information about the solvation.
| Solvent System | Single Solvent |
| Solvent | water |
Please find here information about the dataset this interaction is part of.
| Citation: |
S. Cheng, W. Zhao, X. Yang, Y. Meng, L. Wei, Z. Tao, P. Ma, SupraBank 2024, The binding behaviours between cyclopentanocucurbit[6]uril and three amino acids (dataset). https://doi.org/10.34804/supra.20240328540 |
| Link: | https://doi.org/10.34804/supra.20240328540 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
S. Cheng, W. Zhao, X. Yang, Y. Meng, L. Wei, Z. Tao, P. Ma, R. Soc. open sci. 2021, 8, DOI 10.1098/rsos.202120. |
| Link: | https://doi.org/10.1098/rsos.202120 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Lys (0.0008968609865470852 M) and CyP6Q[6] (0 — 0.0017937219730941704 M).
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