Title:Interactions between stipuol enantiomers and human serum albumin
DOI:10.1016/j.foodchem.2022.132686
ligand name: rac-stipuol
ligand smiles:CCCCCCCC\C=C\CC#CC#CC(O)C=C
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site II (subdomain IIIA)

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;1.82*10^4;
kq;3.61*10^13;
n;0.93;
K;
Ka;1.58*10^4;
Kb;
ΔH;
ΔS;
ΔG;-23.96;
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)





