Interaction

curated

Interaction Scheme

Molecule

Dbf 5k peg
DBF-5kPEGOMe

c = 2.0 µM

Host

Cb8
CB8

c = 0.0 — 30.0 µM

Cofactor

Methyl viologen
Methyl viologen

c = 0.0 — 30.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅105 ± 4.00⋅104 M-1
Kd =
logKa = 5.11 ± 0.14
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -29.19 ± 0.79 -6.98 ± 0.19
Comment
from fluorescence titration
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Fluorescence
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

O. Scherman, F. Biedermann, J. del Barrio, E. Appel, D. Hoogland, M. D. Driscoll, S. Hay, D. J. Wales, SupraBank 2024, Decoupled Associative and Dissociative Processes in Strong yet Highly Dynamic Host–Guest Complexes (dataset). https://doi.org/10.34804/supra.20220701456

Link: https://doi.org/10.34804/supra.20220701456
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

E. A. Appel, F. Biedermann, D. Hoogland, J. del Barrio, M. D. Driscoll, S. Hay, D. J. Wales, O. A. Scherman, J. Am. Chem. Soc. 2017, 139, 12985–12993.

Link: https://doi.org/10.1021/jacs.7b04821
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of DBF-5kPEGOMe (0.00015384615384615385 M) and CB8 (0 — 0.0003076923076923077 M).