Title:Molecular interaction and energy transfer between human serum albumin and bioactive component Aloe dihydrocoumarin
DOI:10.1016/j.molstruc.2007.11.051
ligand name:Aloe dihydrocoumarin
ligand smiles:COC1=CC(C)OC(=C1)C1=C(C)C2=C(OC(=O)CC2C2=CC=CC=C2)C=C1O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;6.3*10^4;
kq;1.4*10^13;
n;1.3;
K;
Ka;
Kb;1.8*10^6;
ΔH;
ΔS;
ΔG;
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;1.8*10^-15;
E;0.500;
R0;1.9;
r;1.9;
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)





