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:	S-methyl-5'-thioadenosine phosphorylase
ID:	I0B503_SCHMA
AC:	I0B503
Organism:	Schistosoma mansoni
Reign:	Eukaryota
TaxID:	6183
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
D	93 %
F	7 %

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Ligand binding site composition:

B-Factor:	31.564
Number of residues:	31
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.840	735.750

% Hydrophobic	% Polar
40.37	59.63
According to VolSite

HET Code:	TBN
Formula:	C11H14N4O4
Molecular weight:	266.253 g/mol
DrugBank ID:	DB03172
Buried Surface Area:	76 %
Polar Surface area:	126.65 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
67.5892	29.5925	53.2384

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