Interaction Scheme

Molecule

H gly phe gly oh
H-gly-phe-gly-oh

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.20⋅104 ± 1000.0 M-1
Kd =
logKa = 4.34 ± 0.02
T 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.95 ± 0.11 -5.96 ± 0.03
ΔH = -38.91 ± 0.42 -9.3 ± 0.1
-TΔS = 13.81 ± 0.42 3.3 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -46.0 ± 1.4 -11.0 ± 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 100.0 %
Additives Disodium hydrog... 5.8 mM
Sodium dihydro... 4.2 mM
Source of Concentration estimated
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 H-gly-phe-gly-oh (0.0009090909090909091 M) and CB7 (0 — 0.0018181818181818182 M).