Interaction

curated

Interaction Scheme

Molecule

Trp gly gly
Trp-Gly-Gly

Host

Cb8
CB8

c = 20.0 µM

Cofactor

Mdpp squared
MDPP

c = 20.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.00⋅105 ± 2.00⋅104 M-1
Kd =
logKa = 5.3 ± 0.04
T 22.0 °C ≈ 295 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.26 ± 0.25 -7.23 ± 0.06
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Associative Binding Assay
Technique: Absorbance
𝛌abs = 443.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, F. Biedermann, SupraBank 2024, Noncovalent Chirality Sensing Ensembles for the Detection and Reaction Monitoring of Amino Acids, Peptides, Proteins, and Aromatic Drugs (dataset). https://doi.org/10.34804/supra.20210928387

Link: https://doi.org/10.34804/supra.20210928387
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

F. Biedermann, W. M. Nau, Angew. Chem. Int. Ed. 2014, 53, 5694–5699.

Link: https://doi.org/10.1002/anie.201400718
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Trp-Gly-Gly (0.0001 M) and CB8 (0 — 0.0002 M).