Title:Interaction of isofraxidin with human serum albumin
DOI:10.1016/j.bmc.2003.10.030
ligand name:isofraxidin
ligand smiles:COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA d

#Binding and thermodynamic parameters#
parameter;
pH;
T;296;303;310;318;
KSV;
kq;
n;0.78;0.75;0.74;0.74
K;
Ka;
Kb;4.1266*10^5;3.8612*10^5;3.5063*10^5;3.1241*10^5;
ΔH;-10.08;-10.08;-10.08;-10.08;
ΔS;73.57;73.57;73.57;73.57;
ΔG;-31.86;-32.37;-32.89;-33.48;
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)





