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:	Trifunctional purine biosynthetic protein adenosine-3
ID:	PUR2_HUMAN
AC:	P22102
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.1.2.2

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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:	39.363
Number of residues:	35
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.314	995.625

% Hydrophobic	% Polar
51.53	48.47
According to VolSite

HET Code:	GAR
Formula:	C7H14N2O8P
Molecular weight:	285.168 g/mol
DrugBank ID:	DB02236
Buried Surface Area:	57.59 %
Polar Surface area:	188.65 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	1
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
2.18328	27.1888	320.233

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