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:	Spectinomycin phosphotransferase
ID:	O06916_LEGPN
AC:	O06916
Organism:	Legionella pneumophila
Reign:	Bacteria
TaxID:	446
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:	56.388
Number of residues:	19
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.091	543.375

% Hydrophobic	% Polar
63.35	36.65
According to VolSite

HET Code:	CKI
Formula:	C11H13ClN3O2S
Molecular weight:	286.758 g/mol
DrugBank ID:	DB03693
Buried Surface Area:	52.79 %
Polar Surface area:	95.07 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	2
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-0.728833	26.5011	34.6647

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