Interaction

curated

Interaction Scheme

Molecule

Pyr5kpegome
1Pyr-5kPEGOMe

c = 1.0 µM

Host

Cb8
CB8

c = 5.0 — 50.0 µM

Cofactor

Methyl viologen
Methyl viologen

c = 5.0 — 50.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.38⋅106 ± 9.00⋅105 M-1
Kd =
logKa = 6.38 ± 0.17
T 5.0 °C ≈ 278 K
kin= 19000000.0 ± 1000000.0 M-1s-1
kout= 8.0 ± 3.0 s-1
Energy kJ mol-1 kcal mol-1
ΔG = -33.95 ± 0.92 -8.11 ± 0.22
Comment
from stopped flow. Ka recalculated
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 2025, 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
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 1Pyr-5kPEGOMe (8.421052631578947e-06 M) and CB8 (0 — 1.6842105263157893e-05 M).