Title:Studies on the Interaction Mechanism Between Fludarabine and Human Serum Albumin
DOI:10.13744/j.cnki.cn21-1431/g4.2020.03.007
ligand name:Fludarabine
ligand smiles:C1=NC2=C(N=C(N=C2N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)F)N
key residue(hbond):Val455;Tyr452 d
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;304;310;
KSV;1.448*10^4;1.121*10^4;0.727*10^4;
kq;
n;
K;
Ka;
Kb;1.637*10^4;1.596*10^4;1.552*10^4;
ΔH;-3.41;-3.41;-3.41;
ΔS;69.22;69.22;69.22;
ΔG;-24.04;-24.45;-24.87;
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;
kq;
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;
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)





