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:	37.746
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.858	594.000

% Hydrophobic	% Polar
43.18	56.82
According to VolSite

HET Code:	MSG
Formula:	C11H15N5O4S
Molecular weight:	313.333 g/mol
DrugBank ID:	-
Buried Surface Area:	73.71 %
Polar Surface area:	150.43 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
52.6646	47.2213	28.2432

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