Title:Study on the synergistic effects between sulfamethoxazole and levofloxacin by spectroscopic and molecular modeling techniques
DOI:10.13526/j.issn.1006-6144.2017.03.005
ligand name:levofloxacin
ligand smiles:C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)O  
key residue(hbond):Arg218 d
key residue(hydrophobic):Phe156;Phe157;Ala191;Trp214;Ala291 d
PDB ID:
Binding Area:site I d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;304;310;
KSV;4.50*10^4;3.77*10^4;3.17*10^4;
kq;
n;1.07;1.02;1.03;
K;
Ka;
Kb;4.50*10^4;3.77*10^4;3.17*10^4;
ΔH;-22.37;-22.37;-22.37;
ΔS;14.03;14.03;14.03;
ΔG;-26.55;-26.64;-26.72;
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)





