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:	Aminoglycoside 3'-phosphotransferase AphA1-IAB
ID:	B0VD92_ACIBY
AC:	B0VD92
Organism:	Acinetobacter baumannii
Reign:	Bacteria
TaxID:	509173
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	59.607
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.450	614.250

% Hydrophobic	% Polar
42.86	57.14
According to VolSite

HET Code:	537
Formula:	C14H8N2O
Molecular weight:	220.226 g/mol
DrugBank ID:	DB01782
Buried Surface Area:	58.86 %
Polar Surface area:	45.75 Å2

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

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Mass center Coordinates

X	Y	Z
-58.2348	47.4211	-44.8772

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