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
ID:	PNPH_BOVIN
AC:	P55859
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
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:	24.851
Number of residues:	35
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.013	577.125

% Hydrophobic	% Polar
45.61	54.39
According to VolSite

HET Code:	GU7
Formula:	C10H17N6O3
Molecular weight:	269.280 g/mol
DrugBank ID:	DB02391
Buried Surface Area:	71.55 %
Polar Surface area:	142.37 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	5
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
73.9147	46.7727	51.2957

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