Title:Molecular Interaction of Amino Acid-Based Gemini Surfactant with Human Serum Albumin: Tensiometric;Spectroscopic;and Molecular Docking Study
DOI:10.1021/acsomega.9b03315
ligand name:2(C12Cys)GS
ligand smiles:CCCCCCCCCCCCNCC(CSCC(CNCCCCCCCCCCCC)C(O)=O)C(O)=O
key residue(hbond):Asn429;Asn458;Val455;Val424;Ser454;Glu425;Tyr411;Lys 205 d
key residue(hydrophobic):
PDB ID:
Binding Area:

#Binding and thermodynamic parameters#
parameter;
pH;
T;298;
KSV;4.41*10^5;
kq;4.41*10^13;
n;1.19;
K;
Ka;
Kb;3.11*10^4;
ΔH;
ΔS;
ΔG;-25.63;
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)





