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
A	96 %
B	4 %

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Ligand binding site composition:

B-Factor:	53.944
Number of residues:	28
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.881	715.500

% Hydrophobic	% Polar
44.81	55.19
According to VolSite

HET Code:	0TO
Formula:	C16H14ClN3O2
Molecular weight:	315.754 g/mol
DrugBank ID:	-
Buried Surface Area:	58.79 %
Polar Surface area:	56.27 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
-28.2024	-59.9142	17.4258

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