Interaction

curated

Interaction Scheme

Molecule

L phenylalanine
L-Phe

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.15⋅105 ± 1.45⋅104 M-1
Kd =
logKa = 5.06 ± 0.06
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.08 ± 0.32 -6.95 ± 0.08
ΔH = -31.8 ± 0.84 -7.6 ± 0.2
-TΔS = 2.93 ± 0.42 0.7 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -9.8 ± 1.4 -2.3 ± 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: cell
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7.8
Solvents water 100.0 %
Additives Disodium phosph...
Sodium dihydro...
Source of Concentration estimated
Total concentration 10.0 mM
pH 7.8
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 2024, 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 L-Phe (0.000173999998086 M) and CB7 (0 — 0.000347999996172 M).