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:	Anthocyanidin 3-O-glucosyltransferase 2
ID:	UFOG_VITVI
AC:	P51094
Organism:	Vitis vinifera
Reign:	Eukaryota
TaxID:	29760
EC Number:	2.4.1.115

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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:	24.295
Number of residues:	32
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.927	911.250

% Hydrophobic	% Polar
45.93	54.07
According to VolSite

HET Code:	QUE
Formula:	C15H8O7
Molecular weight:	300.220 g/mol
DrugBank ID:	DB04216
Buried Surface Area:	63.59 %
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
0.921227	-15.9538	24.4589

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