Interaction

curated

Interaction Scheme

Molecule

L leu
L-Leu

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1202.26 ± 55.39 M-1
Kd =
logKa = 3.08 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -17.58 ± 0.11 -4.2 ± 0.03
ΔH = -51.7 ± 2.1 -12.36 ± 0.5
-TΔS = 34.2 ± 1.5 8.17 ± 0.36
J mol-1 K-1 cal mol-1 K-1
ΔS = -114.7 ± 5.0 -27.4 ± 1.2
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 Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

H. Buschmann, L. Mutihac, E. Schollmeyer, SupraBank 2024, Complexation of Some Amino Acids and Peptides by p-Sulfonatocalix[4]arene and Hexasodium p-Sulfonatocalix[6]arene in Aqueous Solution (dataset). https://doi.org/10.34804/supra.20210928235

Link: https://doi.org/10.34804/supra.20210928235
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-J. Buschmann, L. Mutihac, E. Schollmeyer, Journal of Inclusion Phenomena and Macrocyclic Chemistry 2003, 46, 133–137.

Link: https://doi.org/10.1023/A:1026361017680
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Leu (0.01663533678239316 M) and sCx4 (0 — 0.03327067356478632 M).