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:	5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase 1
ID:	MTN1_ARATH
AC:	Q9T0I8
Organism:	Arabidopsis thaliana
Reign:	Eukaryota
TaxID:	3702
EC Number:	3.2.2.9

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Chains:

Chain Name:	Percentage of Residues within binding site
A	90 %
B	10 %

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Ligand binding site composition:

B-Factor:	17.643
Number of residues:	33
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.832	405.000

% Hydrophobic	% Polar
55.00	45.00
According to VolSite

HET Code:	MTH
Formula:	C12H16N4O3S
Molecular weight:	296.345 g/mol
DrugBank ID:	DB02933
Buried Surface Area:	79.05 %
Polar Surface area:	131.72 Å2

Number of
H-Bond Acceptors:	7
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
10.907	-0.8159	-0.71265

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