Interaction Scheme

Molecule

Untitled
Ala-Lys-Trp-Ala-Ala

Host

Cb8
CB8

Cofactor

Methyl viologen
Methyl viologen

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.70⋅104 ± 1000.0 M-1
Kd =
logKa = 4.23 ± 0.03
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.15 ± 0.15 -5.77 ± 0.04
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
𝛌ex = 280.0 nm
𝛌em = 350.0 nm
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, O. A. Ali, E. M. Olson, SupraBank 2024, Effects of sequence context on the binding of tryptophan-containing peptides by the cucurbit[8]uril–methyl viologen complex (dataset). https://doi.org/10.34804/supra.20210928205

Link: https://doi.org/10.34804/supra.20210928205
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

O. A. Ali, E. M. Olson, A. R. Urbach, Supramolecular Chemistry 2013, 25, 863–868.

Link: https://doi.org/10.1080/10610278.2013.810338
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Ala-Lys-Trp-Ala-Ala (0.001176470588235294 M) and CB8 (0 — 0.002352941176470588 M).