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:	Cap5O
ID:	P95708_STAAU
AC:	P95708
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	1280
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	80 %
B	20 %

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Ligand binding site composition:

B-Factor:	56.611
Number of residues:	17
Including
Standard Amino Acids:	14
Non Standard Amino Acids:	3
Water Molecules:	0
Cofactors:	NAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.795	1545.750

% Hydrophobic	% Polar
36.46	63.54
According to VolSite

HET Code:	PDC
Formula:	C7H3NO4
Molecular weight:	165.103 g/mol
DrugBank ID:	DB04267
Buried Surface Area:	44.99 %
Polar Surface area:	93.15 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	0
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
5.14608	53.8999	94.0747

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