Title:Interaction of 2'R-ochratoxin a with serum albumins: binding site, effects of site markers, thermodynamics, species differences of albumin-binding, and influence of albumin on its toxicity in MDCK cells
DOI:10.3390/toxins10090353
ligand name:2′R-ochratoxin A
ligand smiles:C[C@@H]1CC2=C(Cl)C=C(C(=O)N[C@H](CC3=CC=CC=C3)C(O)=O)C(O)=C2C(=O)O1
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:site I

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;
kq;
n;
K;
Ka;
Kb;
ΔH;-8.45;
ΔS;102.62;
ΔG;-39.04;
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)





