Interaction Scheme

Molecule

Untitled
Ac-GKG-NH2

Host

Scx5 6c
sCx5-6C

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 8980.0 ± 510.0 M-1
Kd =
logKa = 3.95 ± 0.02
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -22.57 ± 0.14 -5.39 ± 0.03
ΔH = -15.9 ± 0.3 -3.8 ± 0.07
-TΔS = -6.7 ± 0.46 -1.6 ± 0.11
J mol-1 K-1 cal mol-1 K-1
ΔS = 22.5 ± 1.5 5.4 ± 0.4
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 10 mM HEPES pH-7.4
Solvents water 100.0 %
Additives Hepes 10.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

W. Nau, D. Guo, Y. Pan, A. Barba-Bon, H. Tian, F. Ding, A. Hennig, SupraBank 2024, An Amphiphilic Sulfonatocalix[5]arene as an Activator for Membrane Transport of Lysine‐rich Peptides and Proteins (dataset). https://doi.org/10.34804/supra.2021092888

Link: https://doi.org/10.34804/supra.2021092888
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

Y. C. Pan, A. Barba‐Bon, H. W. Tian, F. Ding, A. Hennig, W. M. Nau, D. S. Guo, Angew. Chem. Int. Ed. 2020, 60, 1875–1882.

Link: https://doi.org/10.1002/anie.202011185
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Ac-GKG-NH2 (0.0022271714922048997 M) and sCx5-6C (0 — 0.004454342984409799 M).