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:	Uncharacterized protein
ID:	Q2G1L5_STAA8
AC:	Q2G1L5
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	93061
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	24.213
Number of residues:	31
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	MG MN

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Cavity properties

Ligandability	Volume (Å3)
0.695	1161.000

% Hydrophobic	% Polar
40.99	59.01
According to VolSite

HET Code:	3D1
Formula:	C10H13N5O3
Molecular weight:	251.242 g/mol
DrugBank ID:	-
Buried Surface Area:	64.23 %
Polar Surface area:	119.31 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:	2

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Mass center Coordinates

X	Y	Z
-46.9247	43.4983	110.324

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