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_HUMAN
AC:	P00491
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.4.2.1

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Chains:

Chain Name:	Percentage of Residues within binding site
E	100 %

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Ligand binding site composition:

B-Factor:	38.538
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.939	556.875

% Hydrophobic	% Polar
49.09	50.91
According to VolSite

HET Code:	AC2
Formula:	C8H11N5O3
Molecular weight:	225.205 g/mol
DrugBank ID:	DB00787
Buried Surface Area:	67.73 %
Polar Surface area:	114.76 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-16.7142	87.7747	0.676063

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