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:	36.787
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.921	1272.375

% Hydrophobic	% Polar
29.44	70.56
According to VolSite

HET Code:	PP2
Formula:	C15H16ClN5
Molecular weight:	301.774 g/mol
DrugBank ID:	DB03023
Buried Surface Area:	57.55 %
Polar Surface area:	69.62 Å2

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

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Mass center Coordinates

X	Y	Z
-21.2856	-29.2373	-18.1016

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