Interaction

curated

Interaction Scheme

Molecule

Untitled
Phe-Gly-Gly

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.23⋅106 ± 8.32⋅105 M-1
Kd =
logKa = 6.51 ± 0.11
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.4 ± 0.66 -8.94 ± 0.16
ΔH = -56.07 ± 1.67 -13.4 ± 0.4
-TΔS = 18.41 ± 1.26 4.4 ± 0.3
J mol-1 K-1 cal mol-1 K-1
ΔS = -61.3 ± 4.2 -14.7 ± 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: cell
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:

L. A. Logsdon, A. R. Urbach, V. Ramalingam, C. L. Schardon, S. K. Kwee, SupraBank 2025, Nanomolar Binding of Peptides Containing Noncanonical Amino Acids by a Synthetic Receptor (dataset). https://doi.org/10.34804/supra.20210928223

Link: https://doi.org/10.34804/supra.20210928223
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. A. Logsdon, C. L. Schardon, V. Ramalingam, S. K. Kwee, A. R. Urbach, J. Am. Chem. Soc. 2011, 133, 17087–17092.

Link: https://doi.org/10.1021/ja207825y
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Phe-Gly-Gly (6.2000000031e-06 M) and CB7 (0 — 1.24000000062e-05 M).