Interaction

curated

Interaction Scheme

Molecule

Untitled
2,3-Diazabicyclo(2.2.2)oct-2-ene

c = 2000.0 µM

Host

Cx4
Cx4

c = 0.0 — 4000.0 µM

Cofactor

Untitled
Zn2+

c = 20000.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 4000.0 ± 500.0 M-1
Kd =
logKa = 3.6 ± 0.05
T 25.0 °C ≈ 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -20.56 ± 0.31 -4.91 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
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:

W. M. Nau, H. Bakirci, A. L. Koner, M. H. Dickman, U. Kortz, SupraBank 2024, Dynamically Self-Assembling Metalloenzyme Models Based on Calixarenes (dataset). https://doi.org/10.34804/supra.20210928285

Link: https://doi.org/10.34804/supra.20210928285
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

H. Bakirci, A. L. Koner, M. H. Dickman, U. Kortz, W. M. Nau, Angew. Chem. 2006, 118, 7560–7564.

Link: https://doi.org/10.1002/ange.200602999
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of 2,3-Diazabicyclo(2.2.2)oct-2-ene (0.005 M) and Cx4 (0 — 0.01 M).