Title:Characteristics and thermodynamics of the interaction of 6-shogaol with human serum albumin as studied by isothermal titration calorimetry
DOI:10.1590/s1984-82502016000300010
ligand name:6-shogaol
ligand smiles:CCCCC/C=C/C(=O)CCC1=CC(=C(C=C1)O)OC
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;
kq;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#ITC#
parameter;
pH;
T;298;
n;1.31;
K;
Ka;
Kb;5.02*10^4;
ΔH;-20.39;
ΔS;21.41;
ΔG;-26.77;
Cp;
Kd;


#UV-vis absorption spectroscopy#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#other_method#
method;
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#Kinetic Parameters Describing Michaelis–Menten Constant#
HSA/Ligand;RA (%);Vmax;Km;kcat;kcat/Km;




#FRET from Steady State Measurements#
parameter;
pH;
T;
J;
E;
R0;
r;
EFRET;
F0;
F;


#Changes in the ASA(Å2) Values of the Interacting Residues of HSA and ligand Complex
residues;ASA(Å2) of HSA;ASA(Å2)of com;ΔASA(Å2)





