Interaction Scheme

Molecule

Trp gly gly

Trp-Gly-Gly

Host

Cb8

CB8

Binding Properties

Ka = M-2
Kd =
logKa = 9.56 ± 0.11
T= 27.0 °C 300 K
Energy kJ mol-1 kcal mol-1
ΔG = -54.91 ± 0.64 -13.12 ± 0.15
ΔH = -95.4 ± 2.09 -22.8 ± 0.5
-TΔS = 40.58 ± 2.51 9.7 ± 0.6
J mol-1 K-1 cal mol-1 K-1
ΔS = -135.2 ± 8.4 -32.3 ± 2.0

Determination Specification

Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Isothermal Titration Calorimetry
Reference: L. M. Heitmann, A. B. Taylor, P. J. Hart, A. R. Urbach, J. Am. Chem. Soc. 2006, 128, 12574–12581.
Link: https://doi.org/10.1021/ja064323s
Export: BibTex | RIS | EndNote |

Solvation Properties

Solvent System Buffer System 10 mM phosphate pH-7.0
Solvents water
Additives Disodium phosph... 5.8 mM
Sodium dihydro... 4.2 mM
Total concentration 10.0 mM
pH 7.0

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Trp-Gly-Gly (5.555555555555556e-09 M) and CB8 (0 — 1.1111111111111112e-08 M).