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
C	88 %
D	12 %

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Ligand binding site composition:

B-Factor:	28.577
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.516	823.500

% Hydrophobic	% Polar
41.39	58.61
According to VolSite

HET Code:	IMH
Formula:	C11H15N4O4
Molecular weight:	267.261 g/mol
DrugBank ID:	DB06185
Buried Surface Area:	72.91 %
Polar Surface area:	139.1 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	6
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
47.1344	9.85653	113.992

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