Interaction

curated

Interaction Scheme

Molecule

Untitled
Gly-Trp

Host

Cb7
CB7

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 280.0 ± 25.0 M-1
Kd =
logKa = 2.45 ± 0.04
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -13.97 ± 0.22 -3.34 ± 0.05
ΔH = -18.1 ± 0.2 -4.33 ± 0.05
-TΔS = 4.3 ± 0.3 1.03 ± 0.07
J mol-1 K-1 cal mol-1 K-1
ΔS = -14.4 ± 1.0 -3.4 ± 0.2
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: syringe
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

A. D. Stancu, H. Buschmann, L. Mutihac, SupraBank 2024, Survey on thermodynamic properties for the complexation behaviour of some calixarene and cucurbituril receptors (dataset). https://doi.org/10.34804/supra.20210928271

Link: https://doi.org/10.34804/supra.20210928271
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

A. D. Stancu, H.-J. Buschmann, L. Mutihac, J Incl Phenom Macrocycl Chem 2012, 75, 1–10.

Link: https://doi.org/10.1007/s10847-012-0137-5
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Gly-Trp (0.07142857142857142 M) and CB7 (0 — 0.14285714285714285 M).