Title:Effect of methotrexate and its photodegradation products on the temperature induced denaturation of human serum albumin
DOI:10.1016/j.saa.2020.118905
ligand name:Methotrexate(MTX)
ligand smiles:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O 
key residue(hbond):
key residue(hydrophobic):
PDB ID:
Binding Area:subdomain IIA and subdomain IIIA

#Binding and thermodynamic parameters#
parameter;
pH;
T;288;293;298;303;308;
KSV;
kq;
n;
K;8128.305;10232.930;10715.193;10471.285;15135.612;
Ka;
Kb;
ΔH;
ΔS;
ΔG;-21.532;;;;;
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)





