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:	31.605
Number of residues:	30
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	CL

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Cavity properties

Ligandability	Volume (Å3)
0.392	391.500

% Hydrophobic	% Polar
45.69	54.31
According to VolSite

HET Code:	6CR
Formula:	C10H12ClN5O4
Molecular weight:	301.686 g/mol
DrugBank ID:	-
Buried Surface Area:	64.17 %
Polar Surface area:	139.54 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-50.3336	20.7549	23.1669

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