Interaction Scheme
Molecule
1-carboxyadamantane
c = 0.0 — 993.0 µM
Host
Octa acid
c = 150.0 µM
Cofactor
Sodium bromide
c = 100000.0 µM
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 9.94⋅106 | ± | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -39.94 | ± 0.0 | -9.55 | ± 0.0 |
| ΔH | = | -36.4 | -8.7 | ||
| -TΔS | = | -3.3 | -0.79 | ||
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 11.1 | 2.6 | ||
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Associative Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Molecule: | syringe | ||
| Partner: | syringe | ||
| Cofactor: | syringe | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM phosphate pH-11.3 |
| Solvents | water | |
| Additives | Disodium phosph... | 8.0 mM |
| Trisodium phosp... | 2.0 mM | |
| Source of Concentration | ||
| Total concentration | 10.0 mM | |
| pH | 11.3 |
Please find here information about the dataset this interaction is part of.
| Citation: |
C. L. D. Gibb, B. C. Gibb, SupraBank 2024, Anion Binding to Hydrophobic Concavity Is Central to the Salting-in Effects of Hofmeister Chaotropes (dataset). https://doi.org/10.34804/supra.2021092834 |
| Link: | https://doi.org/10.34804/supra.2021092834 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
C. L. D. Gibb, B. C. Gibb, J. Am. Chem. Soc. 2011, 133, 7344–7347. |
| Link: | https://doi.org/10.1021/ja202308n |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of 1-carboxyadamantane (2.0120724346076457e-06 M) and Octa acid (0 — 4.024144869215291e-06 M).
Please sign in: customize the simulation by signing in to the SupraBank.
