Title:Characterisation of interaction between food colourant allura red AC and human serum albumin: Multispectroscopic analyses and docking simulations
DOI:10.1016/j.foodchem.2014.08.088
ligand name:allura red AC
ligand smiles:CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+]  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site I

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;304;310;
KSV;9.878*10^4;9.396*10^4;9.113*10^4;
kq;
n;1.1969;1.0955;1.0071;
K;
Ka;
Kb;10.75*10^5;3.038*10^5;1.087*10^5;
ΔH;-147.00;-147.00;-147.00;
ΔS;-387.07;-387.07;-387.07;
ΔG;-34.33;-32.07;-29.80;
Kd;


#ITC#
parameter;
pH;
T;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Cp;
Kd;

#UV-vis absorption spectroscopy#
parameter;
pH;
T;298;
n;
K;
Ka;
Kb;1.125*10^6;
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)





