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, putative
ID:	A2E7Y6_TRIVA
AC:	A2E7Y6
Organism:	Trichomonas vaginalis
Reign:	Eukaryota
TaxID:	5722
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
D	13 %
F	87 %

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Ligand binding site composition:

B-Factor:	37.723
Number of residues:	31
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.491	867.375

% Hydrophobic	% Polar
44.36	55.64
According to VolSite

HET Code:	223
Formula:	C12H18N5O2
Molecular weight:	264.304 g/mol
DrugBank ID:	-
Buried Surface Area:	73.29 %
Polar Surface area:	112.49 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
-35.9248	14.2596	-8.98484

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