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:	Q9BMI9_SCHMA
AC:	Q9BMI9
Organism:	Schistosoma mansoni
Reign:	Eukaryota
TaxID:	6183
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	97 %
B	3 %

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Ligand binding site composition:

B-Factor:	35.477
Number of residues:	31
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.093	448.875

% Hydrophobic	% Polar
57.89	42.11
According to VolSite

HET Code:	BC3
Formula:	C12H11N5O
Molecular weight:	241.249 g/mol
DrugBank ID:	DB02568
Buried Surface Area:	69.94 %
Polar Surface area:	96.16 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	3
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
-18.0807	-2.59344	28.5311

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