Interaction

curated

Interaction Scheme

Molecule

Untitled
Phe-Gly-Gly

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.50⋅1011 ± 2.00⋅1010 M-1
Kd =
logKa = 11.18 ± 0.06
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -64.22 ± 0.33 -15.35 ± 0.08
ΔH = -123.85 ± 0.84 -29.6 ± 0.2
-TΔS = 59.41 ± 1.26 14.2 ± 0.3
J mol-1 K-1 cal mol-1 K-1
ΔS = -197.9 ± 4.2 -47.3 ± 1.0
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, A. B. Taylor, P. J. Hart, L. M. Heitmann, SupraBank 2025, Sequence-Specific Recognition and Cooperative Dimerization of N-Terminal Aromatic Peptides in Aqueous Solution by a Synthetic Host (dataset). https://doi.org/10.34804/supra.20210928307

Link: https://doi.org/10.34804/supra.20210928307
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. M. Heitmann, A. B. Taylor, P. J. Hart, A. R. Urbach, J. Am. Chem. Soc. 2006, 128, 12574–12581.

Link: https://doi.org/10.1021/ja064323s
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Phe-Gly-Gly (1.3333333333333334e-10 M) and CB8 (0 — 2.666666666666667e-10 M).