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_BACCE
AC:	Q5EEL8
Organism:	Bacillus cereus
Reign:	Bacteria
TaxID:	1396
EC Number:	/

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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:	12.450
Number of residues:	27
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.784	297.000

% Hydrophobic	% Polar
50.00	50.00
According to VolSite

HET Code:	NOS
Formula:	C10H12N4O5
Molecular weight:	268.226 g/mol
DrugBank ID:	DB04335
Buried Surface Area:	62.8 %
Polar Surface area:	133.75 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
43.8976	16.9724	42.1023

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