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:	MTAP_SULSO
AC:	Q97W94
Organism:	Sulfolobus solfataricus
Reign:	Archaea
TaxID:	273057
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
D	89 %
E	11 %

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Ligand binding site composition:

B-Factor:	23.963
Number of residues:	41
Including
Standard Amino Acids:	38
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.850	290.250

% Hydrophobic	% Polar
48.84	51.16
According to VolSite

HET Code:	MTA
Formula:	C11H15N5O3S
Molecular weight:	297.333 g/mol
DrugBank ID:	DB02282
Buried Surface Area:	83.68 %
Polar Surface area:	144.61 Å2

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

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Mass center Coordinates

X	Y	Z
42.4288	-2.0695	-46.4027

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