Title:Investigation of the interaction between adenosine and human serum albumin by fluorescent spectroscopy and molecular modeling
DOI:10.1002/cjoc.200890125
ligand name:adenosine
ligand smiles:C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
key residue(hbond):ASP451;ALA291;LYS199;HIS242;HIS288 d
key residue(hydrophobic):ALA291;HIS242;LYS195 d
PDB ID:
Binding Area:subdomain IIA d

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;308;318;
KSV;2.738*10^3;2.641*10^3;2.401*10^3;
kq;2.738*10^11;2.641*10^11;2.401*10^11;
n;1.1336;1.0183;0.9902;
K;
Ka;
Kb;4.798*10^4;4.252*10^4;3.219*10^4;
ΔH;-15.72;-15.72;-15.72;
ΔS;36.85;36.85;36.85;
ΔG;-26.70;-27.29;-27.44;
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)





