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
C	53 %
D	47 %

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Ligand binding site composition:

B-Factor:	31.669
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.155	675.000

% Hydrophobic	% Polar
51.00	49.00
According to VolSite

HET Code:	QUE
Formula:	C15H8O7
Molecular weight:	300.220 g/mol
DrugBank ID:	DB04216
Buried Surface Area:	62.13 %
Polar Surface area:	133.11 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
-52.7259	-8.56959	-30.6033

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