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:	Q8I3X4_PLAF7
AC:	Q8I3X4
Organism:	Plasmodium falciparum
Reign:	Eukaryota
TaxID:	36329
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	18 %
B	82 %

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Ligand binding site composition:

B-Factor:	31.879
Number of residues:	41
Including
Standard Amino Acids:	39
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.610	901.125

% Hydrophobic	% Polar
44.57	55.43
According to VolSite

HET Code:	MTI
Formula:	C12H17N4O3S
Molecular weight:	297.353 g/mol
DrugBank ID:	DB03881
Buried Surface Area:	76.19 %
Polar Surface area:	139.62 Å2

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

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Mass center Coordinates

X	Y	Z
23.7534	-12.5141	88.4107

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