Title:Study on the bindings of dichlorprop and diquat dibromide herbicides to human serum albumin by spectroscopic methods
DOI:10.1016/j.jhazmat.2014.03.022
ligand name:Dichlorprop
ligand smiles:CC(C(=O)O)OC1=C(C=C(C=C1)Cl)Cl
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;288;298;310;318;
KSV;9.54*10^3;8.54*10^3;7.89*10^3;6.82*10^3;
kq;9.54*10^11;8.54*10^11;7.89*10^11;6.82*10^11;
n;0.84;0.84;0.87;0.86;
K;
Ka;
Kb;7.48*10^3;6.62*10^3;6.36*10^3;5.39*10^3;
ΔH;-7.48;-7.48;-7.48;-7.48;
ΔS;48.22;48.22;48.22;48.22;
ΔG;-21.38;-21.86;-22.44;-22.82;
Kd;


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





