Interaction Scheme

Molecule

Untitled
Thr-Gly-Ala-Phe-Met-NH2

c = 0.0 — 55.0 µM

Host

Cb7
CB7

c = 5.0 µM

Indicator

Ao hcl
AO HCl

c = 0.5 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.30⋅104 ± 1950.0 M-1
Kd =
logKa = 4.11 ± 0.07
T 37.0 °C 310 K
Energy kJ mol-1 kcal mol-1
ΔG = -24.43 ± 0.37 -5.84 ± 0.09
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Fluorescence
𝛌ex = 485.0 nm
𝛌em = 510.0 nm
Detailed information about the solvation.
Solvent System Buffer System 10 mM ammonium phosphate pH-7.2
Solvents water 100.0 %
Additives Ammonium dihydr... 10.0 mM
Source of Concentration estimated
Total concentration 10.0 mM
pH 7.2
Please find here information about the dataset this interaction is part of.
Citation:

W. M. Nau, A. R. Urbach, V. Ramalingam, G. Ghale, SupraBank 2022, Determining Protease Substrate Selectivity and Inhibition by Label-Free Supramolecular Tandem Enzyme Assays (dataset). https://doi.org/10.34804/supra.20210928160

Link: https://doi.org/10.34804/supra.20210928160
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

G. Ghale, V. Ramalingam, A. R. Urbach, W. M. Nau, J. Am. Chem. Soc. 2011, 133, 7528–7535.

Link: https://doi.org/10.1021/ja2013467
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Thr-Gly-Ala-Phe-Met-NH2 (0.0015384615384615385 M) and CB7 (0 — 0.003076923076923077 M).