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:Diquat dibromide
ligand smiles:C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;288;298;310;318;
KSV;5.02*10^3;4.22*10^3;3.76*10^3;3.32*10^3;
kq;5.02*10^11;4.22*10^11;3.76*10^11;3.32*10^11;
n;0.90;0.89;0.88;0.87;
K;
Ka;
Kb;4.04*10^3;3.31*10^3;2.80*10^3;2.36*10^3;
ΔH;-13.25;-13.25;-13.25;-13.25;
ΔS;23.03;23.03;23.03;23.03;
ΔG;-19.89;-20.12;-20.40;-20.58;
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)





