Interaction

curated

Interaction Scheme

Molecule

Methyllysine
Methyllysine

Host

Scx4
sCx4

c = 1000.0 — 10000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3019.95 ± 1700.0 M-1
Kd =
logKa = 3.48 ± 0.28
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.2 ± 1.59 -4.83 ± 0.38
ΔH = -16.4 ± 8.3 -3.92 ± 1.98
-TΔS = -3.5 ± 9.8 -0.84 ± 2.34
J mol-1 K-1 cal mol-1 K-1
ΔS = 11.5 ± 32.3 2.8 ± 7.7
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 40 mM phosphate pH-7.4
Solvents water 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:

K. D. Daze, F. Hof, C. S. Beshara, C. E. Jones, B. J. Lilgert, SupraBank 2024, A Simple Calixarene Recognizes Post-translationally Methylated Lysine (dataset). https://doi.org/10.34804/supra.2021092818

Link: https://doi.org/10.34804/supra.2021092818
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. S. Beshara, C. E. Jones, K. D. Daze, B. J. Lilgert, F. Hof, Chem. Eur. J. of Chem. Bio. 2009, 11, 63–66.

Link: https://doi.org/10.1002/cbic.200900633
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Methyllysine (0.00662262620242057 M) and sCx4 (0 — 0.01324525240484114 M).