Interaction Scheme
Molecule
WGGQTARK(me3)STGGK
c = 900.0 — 1200.0 µM
Host
sCx4-TEG-N3
c = 81.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 5.50⋅104 | ± 2.30⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -27.06 | ± 1.1 | -6.47 | ± 0.26 |
| ΔH | = | -20.5 | ± 0.7 | -4.9 | ± 0.17 |
| -TΔS | = | -6.77 | ± 0.9 | -1.62 | ± 0.22 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 22.7 | ± 3.0 | 5.4 | ± 0.7 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM borate 100 mM NaCl pH-8.6 |
| Solvents | water | |
| Additives | sodium chloride | 100.0 mM |
| Borax | 10.0 mM | |
| Source of Concentration | ||
| pH | 8.6 |
Please find here information about the dataset this interaction is part of.
| Citation: |
I. N. Gober, M. L. Waters, SupraBank 2025, Supramolecular Affinity Labeling of Histone Peptides Containing Trimethyllysine and Its Application to Histone Deacetylase Assays (dataset). https://doi.org/10.34804/supra.20210928161 |
| Link: | https://doi.org/10.34804/supra.20210928161 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
I. N. Gober, M. L. Waters, J. Am. Chem. Soc. 2016, 138, 9452–9459. |
| Link: | https://doi.org/10.1021/jacs.6b02836 |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of WGGQTARK(me3)STGGK (0.0003636363636363636 M) and sCx4-TEG-N3 (0 — 0.0007272727272727272 M).
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