Interaction Scheme

Molecule

Di methyl viologen gly4 scaffold
di-methyl viologen gly4 scaffold

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.20⋅106 ± 3.00⋅105 M-1
Kd =
logKa = 6.34 ± 0.06
T 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.45 ± 0.34 -8.71 ± 0.08
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: syringe
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7.0
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

A. R. Urbach, J. J. Reczek, A. A. Kennedy, B. T. Halbert, SupraBank 2024, Multivalent Recognition of Peptides by Modular Self-Assembled Receptors (dataset). https://doi.org/10.34804/supra.20210928199

Link: https://doi.org/10.34804/supra.20210928199
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. J. Reczek, A. A. Kennedy, B. T. Halbert, A. R. Urbach, J. Am. Chem. Soc. 2009, 131, 2408–2415.

Link: https://doi.org/10.1021/ja808936y
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of di-methyl viologen gly4 scaffold (9.090909090909091e-06 M) and CB8 (0 — 1.8181818181818182e-05 M).