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:	Probable transmembrane ascorbate ferrireductase 2
ID:	ACFR2_ARATH
AC:	Q9SWS1
Organism:	Arabidopsis thaliana
Reign:	Eukaryota
TaxID:	3702
EC Number:	1.16.5.1

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Chains:

Chain Name:	Percentage of Residues within binding site
A	88 %
B	12 %

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Ligand binding site composition:

B-Factor:	54.669
Number of residues:	17
Including
Standard Amino Acids:	15
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.757	826.875

% Hydrophobic	% Polar
57.55	42.45
According to VolSite

HET Code:	ASC
Formula:	C6H7O6
Molecular weight:	175.116 g/mol
DrugBank ID:	DB00126
Buried Surface Area:	56.46 %
Polar Surface area:	110.05 Å2

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

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Mass center Coordinates

X	Y	Z
-7.70083	5.35017	33.2748

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