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:	N-acyl homoserine lactonase AiiA
ID:	AHLLA_BACTK
AC:	P0CJ63
Organism:	Bacillus thuringiensis subsp. kurstaki
Reign:	Bacteria
TaxID:	29339
EC Number:	3.1.1.81

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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:	20.032
Number of residues:	27
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:
Metals:	ZN ZN

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Cavity properties

Ligandability	Volume (Å3)
1.249	624.375

% Hydrophobic	% Polar
60.00	40.00
According to VolSite

HET Code:	C6L
Formula:	C10H18NO4
Molecular weight:	216.254 g/mol
DrugBank ID:	DB07532
Buried Surface Area:	53.02 %
Polar Surface area:	89.46 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-17.5123	-7.218	16.9065

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