Interaction

curated

Interaction Scheme

Molecule

6 %28%282 %28%282 amino 2 oxoethyl%29amino%29 2 oxoethyl%29amino%29 6 oxohexane 1 5 diaminium
6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)am...

Host

Scx5 6c
sCx5-6C

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 5.41⋅104 ± 2500.0 M-1
Kd =
logKa = 4.73 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -27.02 ± 0.11 -6.46 ± 0.03
ΔH = -47.6 ± 0.8 -11.38 ± 0.19
-TΔS = 20.6 ± 1.0 4.92 ± 0.24
J mol-1 K-1 cal mol-1 K-1
ΔS = -69.1 ± 3.4 -16.5 ± 0.8
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 6-((2-((2-amino-2-oxoethyl)amino)-2-oxoethyl)amino)-6-oxohexane-1,5-diaminium (0.0003696857670979667 M) and sCx5-6C (0 — 0.0007393715341959334 M).