Title:Calorimetric and spectroscopic studies on the competitive behavior between (-)-epigallocatechin-3-gallate and 5-fluorouracil with human serum albumin
DOI:10.1016/j.molliq.2017.10.049
ligand name:EGCG
ligand smiles:C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:sites Ι; site II

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


#ITC#
parameter;
pH;
T;298.2;310.2;
n;0.54;0.16;
K;
Ka;102.00*10^3;64.60*10^3;
Kb;
ΔH;-23.27;-23.59;
ΔS;17.84;16.02;
ΔG;-28.59;-28.56;
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)





