Interaction Scheme

Molecule

Compound
WGGGQTARK(me3)STGGR

c = 900.0 — 1200.0 µM

Host

Scx4 teg nbd
sCx4-TEG-NBD

c = 81.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 2.10⋅105 ± 6.50⋅104 M-1
Kd =
logKa = 5.32 ± 0.14
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -30.38 ± 0.79 -7.26 ± 0.19
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 10 mM potassium phosphate pH-7.4
Solvents water
Additives Dipotassium hyd... 7.0 mM
Potassium dihyd... 3.0 mM
Source of Concentration
Total concentration 10.0 mM
pH 7.4
Please find here information about the dataset this interaction is part of.
Citation:

I. N. Gober, M. L. Waters, SupraBank 2024, Supramolecular Affinity Labeling of Histone Peptides Containing Trimethyllysine and Its Application to Histone Deacetylase Assays (dataset). https://doi.org/10.34804/supra.20210928161

Link: https://doi.org/10.34804/supra.20210928161
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

I. N. Gober, M. L. Waters, J. Am. Chem. Soc. 2016, 138, 9452–9459.

Link: https://doi.org/10.1021/jacs.6b02836
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of WGGGQTARK(me3)STGGR (9.523809523809524e-05 M) and sCx4-TEG-NBD (0 — 0.00019047619047619048 M).