Interaction Scheme
Molecule
IA-DZD
c = 500.0 µM
Host
β-CD
c = 0.0 — 2424.24 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1090.0 | ± 8.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -17.34 | ± 0.02 | -4.14 | ± 0.0 |
| ΔH | = | -27.86 | ± 0.33 | -6.66 | ± 0.08 |
| -TΔS | = | 10.52 | 2.51 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -35.3 | -8.4 | ||
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | MicroCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| cmolecule | = | 500.0 𝜇M cell | |
| cpartner | = | 16000.0 𝜇M syringe | |
| Ninjection | = | 50 | |
| Vinjection | = | 5.0 𝜇L | |
| Vinit | = | 5.0 𝜇L | |
| Solvent System | Single Solvent |
| Solvent | water |
| pH | 7.0 |
| Citation: |
Z. Yang, R. A. Stein, T. Ngendahimana, M. Pink, S. Rajca, G. Jeschke, G. R. Eaton, G. R. Eaton, H. S. Mchaourab, A. Rajca, SupraBank 2024, Supramolecular Approach to Electron Paramagnetic Resonance Distance Measurement of Spin-Labeled Proteins (dataset). https://doi.org/10.34804/supra.20240815568 |
| Link: | https://doi.org/10.34804/supra.20240815568 |
| Export: | BibTex | RIS | EndNote |
| Citation: |
Z. Yang, R. A. Stein, T. Ngendahimana, M. Pink, S. Rajca, G. Jeschke, S. S. Eaton, G. R. Eaton, H. S. Mchaourab, A. Rajca, J. Phys. Chem. B 2020, 124, 3291–3299. |
| Link: | https://doi.org/10.1021/acs.jpcb.0c00743 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of IA-DZD (0.01834862385321101 M) and β-CD (0 — 0.03669724770642202 M).
