Interaction Scheme

Molecule

Trp gly gly
Trp-Gly-Gly

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.60⋅109 ± 9.00⋅108 M-1
Kd =
logKa = 9.56 ± 0.11
T 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -54.91 ± 0.64 -13.12 ± 0.15
ΔH = -95.4 ± 2.09 -22.8 ± 0.5
-TΔS = 40.58 ± 2.51 9.7 ± 0.6
J mol-1 K-1 cal mol-1 K-1
ΔS = -135.2 ± 8.4 -32.3 ± 2.0
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 2022, 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 Trp-Gly-Gly (5.555555555555556e-09 M) and CB8 (0 — 1.1111111111111112e-08 M).