Title:Chiral Recognition of Metalaxyl Enantiomers by Human Serum Albumin: Evidence from Molecular Modeling and Photophysical Approach
DOI:10.1002/chir.22024
ligand name:(R)-metalaxyl
ligand smiles:CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)COC
key residue(hbond):Arg222 d
key residue(hydrophobic):
PDB ID:
Binding Area:subdomains IIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;6.93*10^3;
kq;1.129*10^12;
n;
K;
Ka;
Kb;2.415*10^4;
ΔH;
ΔS;
ΔG;
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)





