Title:Study on the intermolecular interaction of icarrin with human serum albumin based on fluorescence spectrometry and physical modeling
DOI:10.3964/j.issn.1000-0593(2018)11-3420-08
ligand name:Icarrin
ligand smiles:CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC4C(C(C(C(O4)CO)O)O)O)O)C5=CC=C(C=C5)OC)O)O)O
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site I d

#Binding and thermodynamic parameters#
parameter;
pH;
T;
KSV;
kq;
n;1.10;
K;
Ka;
Kb;1.6420*10^5;
ΔH;
ΔS;
ΔG;-28.88;
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)





