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

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	17.625
Number of residues:	28
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	ZN ZN

---

Cavity properties

Ligandability	Volume (Å3)
1.079	607.500

% Hydrophobic	% Polar
52.22	47.78
According to VolSite

HET Code:	CYK
Formula:	C10H18NO3S
Molecular weight:	232.320 g/mol
DrugBank ID:	DB07603
Buried Surface Area:	65.86 %
Polar Surface area:	108.03 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

---

Mass center Coordinates

X	Y	Z
11.0143	33.5309	25.768

• 2D View
• 3D View