Title:The interaction mechanism between anionic or cationic surfactant with HSA by using spectroscopy, calorimetry and molecular docking methods
DOI:10.1016/j.molliq.2016.10.060
ligand name:Sodium dodecyl sulfate
ligand smiles:CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
key residue(hbond):Arg410;Tyr411 d
key residue(hydrophobic):
PDB ID:
Binding Area:subdomian IIIA d

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


#ITC#
parameter;
pH;
T;298;
n;9.70;
K;
Ka;
Kb;2.47*10^4;
ΔH;-12.9704;
ΔS;40.5848
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;
T;
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)





