Interaction Scheme
Molecule
Trp-met-gly
Host
CB7
Binding Properties
| 𝜈 | Molecule 1 : 1 Host | ||
| Ka = | 2.30⋅105 | ± 1.00⋅104 | M-1 |
| Kd = | |||
| logKa = | |||
| T | 27.0 °C | ||
| Energy | kJ mol-1 | kcal mol-1 | |||
|---|---|---|---|---|---|
| ΔG | = | -30.81 | ± 0.11 | -7.36 | ± 0.03 |
| ΔH | = | -84.2 | ± 0.8 | -20.12 | ± 0.19 |
| -TΔS | = | 53.3 | ± 0.89 | 12.74 | ± 0.21 |
| J mol-1 K-1 | cal mol-1 K-1 | ||||
| ΔS | = | -177.6 | ± 3.0 | -42.4 | ± 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 | ||
| Instrument: | MircoCal VP-ITC | ||
| VCell | = | 1400.0 𝜇L | |
| VSyringe | = | 350.0 𝜇L | |
| Molecule: | syringe | ||
| Partner: | cell | ||
Detailed information about the solvation.
| Solvent System | Buffer System | 10 mM ammonium phosphate pH-7.2 |
| Solvents | water | 100.0 % |
| Additives | Ammonium dihydr... | 10.0 mM |
| Source of Concentration | estimated | |
| Total concentration | 10.0 mM | |
| pH | 7.2 |
Please find here information about the dataset this interaction is part of.
| Citation: |
L. A. Logsdon, A. R. Urbach, SupraBank 2024, Sequence-Specific Inhibition of a Nonspecific Protease (dataset). https://doi.org/10.34804/supra.20210928102 |
| Link: | https://doi.org/10.34804/supra.20210928102 |
| Export: | BibTex | RIS | EndNote |
Please find here information about the scholarly article describing the results derived from that data.
| Citation: |
L. A. Logsdon, A. R. Urbach, J. Am. Chem. Soc. 2013, 135, 11414–11416. |
| Link: | https://doi.org/10.1021/ja406032x |
| Export: | BibTex | RIS | EndNote | |
Binding Isotherm Simulations
The plot depicts the binding isotherm simulation of a 1:1 interaction of Trp-met-gly (8.695652173913044e-05 M) and CB7 (0 — 0.00017391304347826088 M).
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