Interaction

curated

Interaction Scheme

Molecule

Aarkme3sapy
AARKme3SAPY

c = 0.0 — 500.0 µM

Host

Scx4
sCx4

c = 1.25 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 1.85⋅105 ± 3431.0 M-1
Kd =
logKa = 5.27 ± 0.01
T 30.0 °C ≈ 303 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.57 ± 0.05 -7.31 ± 0.01
ΔH = -35.3 ± 0.2 -8.44 ± 0.05
-TΔS = 4.7 1.12
J mol-1 K-1 cal mol-1 K-1
ΔS = -15.5 -3.7
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: syringe
Detailed information about the solvation.
Solvent System Buffer System 40 mM phosphate pH-7.4
Solvents water 100.0 %
Additives Disodium hydrog... 30.2 mM
Sodium dihydrog... 9.8 mM
Source of Concentration
Total concentration 40.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

K. D. Daze, F. Hof, C. S. Beshara, M. C. F. Ma, T. Pinter, A. Ibraheem, S. A. Minaker, R. J. M. Courtemanche, R. E. Campbell, SupraBank 2024, Supramolecular hosts that recognize methyllysines and disrupt the interaction between a modified histone tail and its epigenetic reader protein (dataset). https://doi.org/10.34804/supra.20210928174

Link: https://doi.org/10.34804/supra.20210928174
Export: BibTex | RIS | EndNote
Please find here information about the scholarly article describing the results derived from that data.
Citation:

K. D. Daze, T. Pinter, C. S. Beshara, A. Ibraheem, S. A. Minaker, M. C. F. Ma, R. J. M. Courtemanche, R. E. Campbell, F. Hof, Chem. Sci. 2012, 3, 2695.

Link: https://doi.org/10.1039/C2SC20583A
Export: BibTex | RIS | EndNote |

Binding Isotherm Simulations

The plot depicts the binding isotherm simulation of a 1:1 interaction of AARKme3SAPY (0.000108000108000108 M) and sCx4 (0 — 0.000216000216000216 M).