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:	Phosphopantetheine adenylyltransferase
ID:	COAD_STAAW
AC:	P63820
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	196620
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	3 %
B	97 %

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Ligand binding site composition:

B-Factor:	42.171
Number of residues:	37
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.013	594.000

% Hydrophobic	% Polar
32.39	67.61
According to VolSite

HET Code:	AGS
Formula:	C10H14N5O12P3S
Molecular weight:	521.231 g/mol
DrugBank ID:	DB02930
Buried Surface Area:	61.82 %
Polar Surface area:	329.24 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-15.9659	-26.2873	41.6637

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