Interaction Scheme

Molecule

L tyrosyl l alanyl l leucine
L-tyrosyl-L-alanyl-L-leucine

Host

Cb8
CB8

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.94⋅104 ± 6100.0 M-1
Kd =
logKa = 4.47 ± 0.09
T 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.68 ± 0.53 -6.14 ± 0.13
ΔH = -39.75 ± 0.42 -9.5 ± 0.1
-TΔS = 14.23 ± 0.42 3.4 ± 0.1
J mol-1 K-1 cal mol-1 K-1
ΔS = -47.4 ± 1.4 -11.3 ± 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 L-tyrosyl-L-alanyl-L-leucine (0.0006802721088435374 M) and CB8 (0 — 0.0013605442176870747 M).