Interaction Scheme

Molecule

Untitled
Ac-Lys-OMe

c = 0.0 — 712.0 µM

Host

Molecular tweezer  opo3
Molecular Tweezer-lithium diphosphate

c = 21.9 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.90⋅104 ± 5000.0 M-1
Kd =
logKa = 4.46 ± 0.08
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.47 ± 0.43 -6.09 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 280.0 nm
𝛌em = 334.0 nm
Detailed information about the solvation.
Solvent System Buffer System 100 mM phosphate pH-9.0
Solvents water
Source of Concentration
Total concentration 100.0 mM
pH 9.0
Please find here information about the dataset this interaction is part of.
Citation:

P. Talbiersky, T. Schrader, F. Bastkowski, F. Klärner, SupraBank 2024, Molecular Clip and Tweezer Introduce New Mechanisms of Enzyme Inhibition (dataset). https://doi.org/10.34804/supra.20211020407

Link: https://doi.org/10.34804/supra.20211020407
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

P. Talbiersky, F. Bastkowski, Klärner Frank-Gerrit, T. Schrader, J. Am. Chem. Soc. 2008, 130, 9824–9828.

Link: https://doi.org/10.1021/ja801441j
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Ac-Lys-OMe (0.000689655172413793 M) and Molecular Tweezer-lithium diphosphate (0 — 0.001379310344827586 M).