Interaction

curated

Interaction Scheme

Molecule

Untitled
Gly-L-Val

Host

Scx4
sCx4

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1737.8 ± 80.06 M-1
Kd =
logKa = 3.24 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -18.49 ± 0.11 -4.42 ± 0.03
ΔH = -39.5 ± 1.2 -9.44 ± 0.29
-TΔS = 21.1 ± 1.1 5.04 ± 0.26
J mol-1 K-1 cal mol-1 K-1
ΔS = -70.8 ± 3.7 -16.9 ± 0.9
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
Export: BibTex | RIS | EndNote
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
Export: BibTex | RIS | EndNote

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-L-Val (0.011508804235239959 M) and sCx4 (0 — 0.023017608470479917 M).