Title:Imaging human serum albumin behavior in process of PVOCs transportation in vivo: Spectroscopy analysis insight
DOI:10.1016/j.foodchem.2022.133692
ligand name:dipentene
ligand smiles:CC1=CCC(CC1)C(=C)C 
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site I d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;310;
KSV;8.97*10^3;;
kq;8.97*10^11;;
n;1.39;;
K;
Ka;6.25*10^4;;
Kb;
ΔH;-54.44;-54.44;
ΔS;90.86;90.86;
ΔG;-27.36;-26.27;
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;4.15;
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)





