Interaction

curated

Interaction Scheme

Molecule

Untitled
Tyr-gly

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.60⋅106 ± 2.00⋅105 M-1
Kd =
logKa = 6.56 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.42 ± 0.14 -8.94 ± 0.03
ΔH = -44.1 ± 0.4 -10.54 ± 0.1
-TΔS = 6.7 ± 0.4 1.6 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -22.5 ± 1.3 -5.4 ± 0.3
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 Tyr-gly (5.555555555555556e-06 M) and CB7 (0 — 1.1111111111111112e-05 M).