Interaction Scheme
Molecule
Gly-L-Val
Host
CB6
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 1549.0 | ± 143.0 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 25.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -18.21 | ± 0.23 | -4.35 | ± 0.05 |
| ΔH | = | -1.7 | ± 0.8 | -0.41 | ± 0.19 |
| -TΔS | = | -16.4 | ± 1.1 | -3.92 | ± 0.26 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | 55.0 | ± 3.7 | 13.1 | ± 0.9 |
These are the specifications of the determination of the experimental results.
| Detection Method: | Direct | ||
| Assay Type: | Direct Binding Assay | ||
| Technique: | Isothermal Titration Calorimetry | ||
| Instrument: | ITC | ||
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Complex Mixture | |
| Solvents | water | 50.0 % |
| Formic acid | 50.0 % | |
Please find here information about the dataset this interaction is part of.
| Citation: |
H. Buschmann, L. Mutihac, E. Schollmeyer, SupraBank 2024, The formation of amino acid and dipeptide complexes with α-cyclodextrin and cucurbit[6]uril in aqueous solutions studied by titration calorimetry (dataset). https://doi.org/10.34804/supra.20231019500 |
| Link: | https://doi.org/10.34804/supra.20231019500 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
H.-J. Buschmann, E. Schollmeyer, L. Mutihac, Thermochimica Acta 2003, 399, 203–208. |
| Link: | https://doi.org/10.1016/S0040-6031(02)00462-8 |
| Export: | BibTex | RIS | EndNote |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-L-Val (0.012911555842479019 M) and CB6 (0 — 0.025823111684958037 M).
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