sc-PDB

List of CHEMBLId :

This value allows a number of roughly comparable measures of half-maximal response concentration/potency/affinity to be compared on a negative logarithmic scale (e.g., an IC50 measurement of 1nM would have a pChEMBL value of 9).

Uniprot Annotation

Name:	Glutathione S-transferase F2
ID:	GSTF2_ARATH
AC:	P46422
Organism:	Arabidopsis thaliana
Reign:	Eukaryota
TaxID:	3702
EC Number:	2.5.1.18

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Chains:

Chain Name:	Percentage of Residues within binding site
E	46 %
F	54 %

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Ligand binding site composition:

B-Factor:	33.640
Number of residues:	37
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.937	597.375

% Hydrophobic	% Polar
53.11	46.89
According to VolSite

HET Code:	QCT
Formula:	C21H19O11
Molecular weight:	447.369 g/mol
DrugBank ID:	-
Buried Surface Area:	67.11 %
Polar Surface area:	189.2 Å2

Number of
H-Bond Acceptors:	11
H-Bond Donors:	6
Rings:	4
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
8.00634	-1.33378	9.55828

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