Interaction

curated

Interaction Scheme

Molecule

Untitled
Tyr-Phe-Ala

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.45⋅106 ± 4.80⋅105 M-1
Kd =
logKa = 6.54 ± 0.06
T 27.0 °C ≈ 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -37.57 ± 0.35 -8.98 ± 0.08
ΔH = -67.36 ± 0.84 -16.1 ± 0.2
-TΔS = 30.12 ± 0.42 7.2 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -100.3 ± 1.4 -24.0 ± 0.3
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: cell
Detailed information about the solvation.
Solvent System Buffer System 10 mM phosphate pH-7.0
Solvents water
Source of Concentration
Total concentration 10.0 mM
pH 7.0
Please find here information about the dataset this interaction is part of.
Citation:

A. R. Urbach, L. C. Smith, D. G. Leach, B. E. Blaylock, O. A. Ali, SupraBank 2024, Sequence-Specific, Nanomolar Peptide Binding via Cucurbit[8]uril-Induced Folding and Inclusion of Neighboring Side Chains (dataset). https://doi.org/10.34804/supra.20210928193

Link: https://doi.org/10.34804/supra.20210928193
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

L. C. Smith, D. G. Leach, B. E. Blaylock, O. A. Ali, A. R. Urbach, J. Am. Chem. Soc. 2015, 137, 3663–3669.

Link: https://doi.org/10.1021/jacs.5b00718
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Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of Tyr-Phe-Ala (5.80046403712297e-06 M) and CB8 (0 — 1.160092807424594e-05 M).