Interaction

curated

Interaction Scheme

Molecule

Methyllysine
Methyllysine

Host

Cx4r cn4
Cx4R-(CN)4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2100.0 ± 600.0 M-1
Kd =
logKa = 3.32 ± 0.13
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.96 ± 0.73 -4.53 ± 0.17
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Nuclear Magnetic Resonance
Detailed information about the solvation.
Solvent System Buffer System 40 mM deuterated phosphate pD-7.4
Solvents Deuterium Oxide 100.0 %
Additives Disodium hydrog... 30.2 mM
Sodium dihydrog... 9.8 mM
Source of Concentration
Total concentration 40.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

H. Peacock, C. C. Thinnes, A. Kawamura, A. D. Hamilton, SupraBank 2024, Tetracyanoresorcin[4]arene selectively recognises trimethyllysine and inhibits its enzyme-catalysed demethylation (dataset). https://doi.org/10.34804/supra.20210928212

Link: https://doi.org/10.34804/supra.20210928212
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Peacock, C. C. Thinnes, A. Kawamura, A. D. Hamilton, Supramolecular Chemistry 2016, 28, 575–581.

Link: https://doi.org/10.1080/10610278.2016.1140898
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyllysine (0.009523809523809525 M) and Cx4R-(CN)4 (0 — 0.01904761904761905 M).