Title:Unique dynamic mode between Artepillin C and human serum albumin implies the characteristics of Brazilian green propolis representative bioactive component
DOI:10.1038/s41598-020-74197-4
ligand name:Artepillin C
ligand smiles:CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)/C=C/C(=O)O)C  
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:Sudlow's site I(subdomain IIA) 

#Binding and thermodynamic parameters#
parameter;
pH;
T;290;295;300;305;
KSV;0.842*10^6;0.985*10^6;1.261*10^6;1.321*10^6;
kq;0.842*10^14;0.985*10^14;1.261*10^14;1.321*10^14;
n;0.9667;0.8430;0.9541;0.9493;
K;
Ka;0.821*10^6;0.908*10^6;1.246*10^6;1.378*10^6;
Kb;
ΔH;-27.507;-27.507;-27.507;-27.507;
ΔS;207.877;207.877;207.877;207.877;
ΔG;-32.836;-33.650;-35.008;-35.849;
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)





