Title:Exploring the interactions of decabrominateddiphenyl ether and tetrabromobisphenol A with human serum albumin
DOI:10.1016/j.etap.2014.08.009
ligand name:decabrominateddiphenyl ether
ligand smiles:C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)OC2=C(C(=C(C(=C2Br)Br)Br)Br)Br  
key residue(hbond):
key residue(hydrophobic):Leu115;Leu182;Ile142;Met123 d
PDB ID:
Binding Area:subdomain IIA;subdomain IB

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;310;
KSV;
kq;
n;0.91;0.94;
K;
Ka;
Kb;1.22*10^4;1.38*10^4;
ΔH;7.82;7.82;
ΔS;104.46;104.46;
ΔG;-23.31;-24.57;
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)





