Title:Specific interaction of 4'-O-(a--Cladinosyl) daunorubicin with human serum albumin: The binding site II on HSA molecular using spectroscopy and modeling
DOI:10.1016/j.jphotobiol.2009.03.001
ligand name:CDNR
ligand smiles:COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@@H]3C[C@H](N)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](C)[C@H](C)O4)[C@H](C)O3)C(C)=O)C(O)=C1C2=O
key residue(hbond):Arg218;Arg222;Glu292 d
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;294;304;314;
KSV;3.585*10^4;3.364*10^4;.3.101*10^4;
kq;3.585*10^12;3.364*10^12;.3.101*10^12;
n;1.19;1.12;1.03;
K;
Ka;9.17*10^4;6.38*10^4;4.53*10^4;
Kb;9.28*10^4;6.07*10^4;4.36*10^4;
ΔH;-19.89;-19.89;-19.89;
ΔS;26.23;26.23;26.23;
ΔG;-28.02;-28.05;-28.08;
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;8.16463E-15;
E;0.5319;
R0;2.37;
r;2.32;
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)





