Interaction

uncurated

Interaction Scheme

Molecule

Untitled
L-Leu-L-Phe

Host

Cb6
CB6

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 602.6 ± 27.8 M-1
Kd =
logKa = 2.78 ± 0.02
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -15.87 ± 0.11 -3.79 ± 0.03
ΔH = -3.2 ± 0.3 -0.76 ± 0.07
-TΔS = -12.7 ± 0.4 -3.04 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = 42.6 ± 1.3 10.2 ± 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
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 L-Leu-L-Phe (0.03318951211417192 M) and CB6 (0 — 0.06637902422834384 M).