Interaction

uncurated

Interaction Scheme

Molecule

Untitled
Glutathione

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 549.5 ± 12.7 M-1
Kd =
logKa = 2.74 ± 0.01
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.64 ± 0.06 -3.74 ± 0.01
ΔH = -2.4 ± 0.1 -0.57 ± 0.02
-TΔS = -13.3 ± 0.1 -3.18 ± 0.02
J mol-1 K-1 cal mol-1 K-1
ΔS = 44.6 ± 0.3 10.7 ± 0.1
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Instrument: ITC
Molecule: syringe
Partner: cell
Detailed information about the solvation.
Solvent System Complex Mixture
Solvents water 50.0 %
Formic acid 50.0 %
Please find here information about the dataset this interaction is part of.
Citation:

H. Buschmann, L. Mutihac, R. Mutihac, E. Schollmeyer, SupraBank 2024, Complexation behavior of cucurbit[6]uril with short polypeptides (dataset). https://doi.org/10.34804/supra.20231018498

Link: https://doi.org/10.34804/supra.20231018498
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H.-J. Buschmann, L. Mutihac, R.-C. Mutihac, E. Schollmeyer, Thermochimica Acta 2005, 430, 79–82.

Link: https://doi.org/10.1016/j.tca.2005.01.002
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Glutathione (0.036396724294813464 M) and CB6 (0 — 0.07279344858962693 M).