Interaction Scheme

Molecule

Untitled
Cadaverine

Host

Cb7
CB7

c = 30.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4.30⋅106 ± 9.00⋅105 M-1
Kd =
logKa = 6.63 ± 0.09
T 30.0 °C 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -38.5 ± 0.54 -9.2 ± 0.13
ΔH = -17.15 ± 2.9 -4.1 ± 0.69
-TΔS = -21.33 ± 3.3 -5.1 ± 0.79
J mol-1 K-1 cal mol-1 K-1
ΔS = 70.4 ± 10.9 16.8 ± 2.6
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: cell
Detailed information about the solvation.
Solvent System Buffer System 10 mM ammonium acetate pH-6.0
Solvents water 100.0 %
Additives Ammonium acetate 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 6.0
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, V. D. Uzunova, A. Hennig, D. M. Bailey, SupraBank 2024, Supramolecular Tandem Enzyme Assays for Multiparameter Sensor Arrays and Enantiomeric Excess Determination of Amino Acids (dataset). https://doi.org/10.34804/supra.20210928260

Link: https://doi.org/10.34804/supra.20210928260
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D. M. Bailey, A. Hennig, V. D. Uzunova, W. M. Nau, Chem. Eur. J. 2008, 14, 6069–6077.

Link: https://doi.org/10.1002/chem.200800463
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Cadaverine (4.651162790697674e-06 M) and CB7 (0 — 9.302325581395349e-06 M).