Interaction

curated

Interaction Scheme

Molecule

Untitled
Choline

c = 0.0 — 1200.0 µM

Host

Smecx4
sMeCx4

Indicator

Lucigenin
Lucigenin

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.25⋅104 ± 1200.0 M-1
Kd =
logKa = 4.1 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -23.39 ± 0.24 -5.59 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 360.0 nm
𝛌em = 504.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-8.0
Solvents water
Additives Sodium dihydrog... 10.0 mM
Sodium hydroxide
Source of Concentration estimated
Total concentration 10.0 mM
pH 8.0
Please find here information about the dataset this interaction is part of.
Citation:

D. Guo, Y. Liu, J. Yang, SupraBank 2024, Specifically Monitoring Butyrylcholinesterase by Supramolecular Tandem Assay (dataset). https://doi.org/10.34804/supra.20210928273

Link: https://doi.org/10.34804/supra.20210928273
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

D.-S. Guo, J. Yang, Y. Liu, Chem. Eur. J. 2013, 19, 8755–8759.

Link: https://doi.org/10.1002/chem.201300980
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Choline (0.0016 M) and sMeCx4 (0 — 0.0032 M).