Interaction

curated

Interaction Scheme

Molecule

Mono methyl viologen gly6 scaffold
Mono-methyl viologen Gly6 scaffold

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅106 ± 1.00⋅105 M-1
Kd =
logKa = 6.3 ± 0.02
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -36.21 ± 0.12 -8.65 ± 0.03
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 Mono-methyl viologen Gly6 scaffold (1.0e-05 M) and CB8 (0 — 2.0e-05 M).