Title:Thermodynamics of benzoquinone-induced conformational changes in nucleic acids and human serum albumin
DOI:10.1016/j.cbi.2022.110281
ligand name:benzoquinone
ligand smiles:C1=CC(=O)C=CC1=O  
key residue(hbond):Leu251 d
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;
kq;
n;
K;
Ka;
Kb;
ΔH;
ΔS;
ΔG;
Kd;


#ITC#
parameter;
pH;
T;298;
n;0.9
K;
Ka;119.05;
Kb;
ΔH;-17.1962;
ΔS;323.0048;
ΔG;-11.8407;
Cp;
Kd;8400;

#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)





