Interaction Scheme

Molecule

Untitled
Gly-tyr-gly

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2700.0 ± 100.0 M-1
Kd =
logKa = 3.43 ± 0.02
T 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -19.72 ± 0.09 -4.71 ± 0.02
ΔH = -9.2 ± 0.42 -2.2 ± 0.1
-TΔS = -10.46 ± 0.42 -2.5 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = 34.8 ± 1.4 8.3 ± 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 Buffer System 10 mM phosphate pH-7.0
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

A. R. Urbach, J. M. Chinai, A. B. Taylor, L. M. Ryno, N. D. Hargreaves, C. A. Morris, P. J. Hart, SupraBank 2022, Molecular Recognition of Insulin by a Synthetic Receptor (dataset). https://doi.org/10.34804/supra.20210928195

Link: https://doi.org/10.34804/supra.20210928195
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

J. M. Chinai, A. B. Taylor, L. M. Ryno, N. D. Hargreaves, C. A. Morris, P. J. Hart, A. R. Urbach, J. Am. Chem. Soc. 2011, 133, 8810–8813.

Link: https://doi.org/10.1021/ja201581x
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-tyr-gly (0.007407407407407408 M) and CB7 (0 — 0.014814814814814815 M).