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
A	100 %

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Ligand binding site composition:

B-Factor:	22.987
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.049	398.250

% Hydrophobic	% Polar
59.32	40.68
According to VolSite

HET Code:	GLY_GGL_FOE
Formula:	C21H28FN4O7S
Molecular weight:	499.533 g/mol
DrugBank ID:	-
Buried Surface Area:	45.06 %
Polar Surface area:	211.7 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	14

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Mass center Coordinates

X	Y	Z
16.8038	30.3884	21.4741

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