Title:Binding of Hydroxyquinoline Probes to Human Serum Albumin: Combining Molecular Modeling and Foerster's Resonance Energy Transfer Spectroscopy to Understand Flexible Ligand Binding
DOI:10.1021/jp311238n
ligand name:7HQ
ligand smiles:OC1=CC2=C(C=CC=N2)C=C1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;296;
KSV;18.5*10^3;
kq;3.0*10^12;
n;1.2;
K;
Ka;
Kb;1.6*10^5;
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;4.40767*10^-15;
E;0.66;
R0;2.2;
r;2.0;
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)





