Interaction

curated

Interaction Scheme

Molecule

L phenylalanine
L-Phe

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 2 : 1 Host
Ka = 1.10⋅108 ± 2.00⋅107 M-2
Kd =
logKa = 8.04 ± 0.08
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -46.21 ± 0.46 -11.04 ± 0.11
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: MircoCal VP-ITC
VCell = 1400.0 𝜇L
VSyringe = 350.0 𝜇L
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:

P. Rajgariah, A. R. Urbach, SupraBank 2024, Scope of amino acid recognition by cucurbit[8]uril (dataset). https://doi.org/10.34804/supra.20210928384

Link: https://doi.org/10.34804/supra.20210928384
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

P. Rajgariah, A. R. Urbach, J Incl Phenom Macrocycl Chem 2008, 62, 251–254.

Link: https://doi.org/10.1007/s10847-008-9464-y
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of L-Phe (1.8181818181818183e-07 M) and CB8 (0 — 3.6363636363636366e-07 M).