Interaction Scheme

Molecule

Putrescine %28fully protonated form%29
putrescine (fully protonated form)

Host

Cb7
CB7

c = 30.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.00⋅105 ± 1.00⋅104 M-1
Kd =
logKa = 5.48 ± 0.01
T 30.0 °C 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -31.79 ± 0.08 -7.6 ± 0.02
ΔH = -13.8 ± 0.41 -3.3 ± 0.1
-TΔS = -18.0 ± 0.41 -4.3 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = 59.4 ± 1.4 14.2 ± 0.3
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 putrescine (fully protonated form) (6.666666666666667e-05 M) and CB7 (0 — 0.00013333333333333334 M).