Interaction

curated

Interaction Scheme

Molecule

L phe gly
L-Phe-Gly

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.00⋅107 ± 4.00⋅106 M-1
Kd =
logKa = 7.48 ± 0.06
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -42.68 ± 0.33 -10.2 ± 0.08
ΔH = -47.4 ± 0.5 -11.33 ± 0.12
-TΔS = 4.7 ± 0.5 1.12 ± 0.12
J mol-1 K-1 cal mol-1 K-1
ΔS = -15.8 ± 1.7 -3.8 ± 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 Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271

Link: https://doi.org/10.34804/supra.20210928271
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10.

Link: https://doi.org/10.1007/s10847-012-0137-5
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Phe-Gly (6.666666666666667e-07 M) and CB7 (0 — 1.3333333333333334e-06 M).