Interaction Scheme
Molecule
Trimethyllysine
c = 2000.0 µM
Host
sCx4-NHSO2(4-CO2H)Ph
c = 20000.0 — 50000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2900.0 | ± 80.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -19.76 | ± 0.07 | -4.72 | ± 0.02 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Nuclear Magnetic Resonance | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 40 mM deuterated phosphate pD-7.4 |
| Solvents | Deuterium Oxide | 100.0 % |
| Additives | Disodium hydrog... | 30.2 mM |
| Sodium dihydrog... | 9.8 mM | |
| Source of Concentration | ||
| Total concentration | 40.0 mM | |
| pH | 7.4 |
Please find here information about the dataset this interaction is part of.
| Citation: |
K. D. Daze, F. Hof, M. C. F. Ma, F. Pineux, SupraBank 2024, Synthesis of New Trisulfonated Calix[4]arenes Functionalized at the Upper Rim, and Their Complexation with the Trimethyllysine Epigenetic Mark (dataset). https://doi.org/10.34804/supra.20210928109 |
| Link: | https://doi.org/10.34804/supra.20210928109 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
K. D. Daze, M. C. F. Ma, F. Pineux, F. Hof, Org. Lett. 2012, 14, 1512–1515. |
| Link: | https://doi.org/10.1021/ol300243b |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Trimethyllysine (0.006896551724137931 M) and sCx4-NHSO2(4-CO2H)Ph (0 — 0.013793103448275862 M).
Please sign in: customize the simulation by signing in to the SupraBank.
