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:	Purine nucleoside phosphorylase DeoD-type
ID:	DEOD_BACSU
AC:	O34925
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
EC Number:	2.4.2.1

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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:	24.096
Number of residues:	29
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	CL CL

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Cavity properties

Ligandability	Volume (Å3)
0.887	641.250

% Hydrophobic	% Polar
52.63	47.37
According to VolSite

HET Code:	GA2
Formula:	C9H13N5O4
Molecular weight:	255.231 g/mol
DrugBank ID:	DB01004
Buried Surface Area:	61.78 %
Polar Surface area:	134.99 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-50.6531	21.0346	23.9543

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