Title:Quantitative investigation of the dynamic interaction of human serum albumin with procaine using a multi-way calibration method coupled with three-dimensional fluorescence spectroscopy
DOI:10.1039/c5ay00790a
ligand name:procaine
ligand smiles:CCN(CC)CCOC(=O)C1=CC=C(C=C1)N
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;290;303;310;
KSV;
kq;
n;1.20;1.20;1.20;
K;
Ka;
Kb;2.04*10^6;0.85*10^6;0.82*10^6;
ΔH;-36.20;-36.20;-36.20;
ΔS;-4.51;-4.51;-4.51;
ΔG;-34.89;-34.83;-34.80;
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;2.04*10^6;0.85*10^6;0.82*10^6;
ΔH;-36.20;-36.20;-36.20;
ΔS;-4.51;-4.51;-4.51;
ΔG;-34.89;-34.83;-34.80;
Kd;

#other_method#
method;multi-way calibration analysis
parameter;
pH;
T;290;303;310;
n;1.20;1.20;1.20;
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)





