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:	UDP-3-O-acyl-N-acetylglucosamine deacetylase
ID:	LPXC_AQUAE
AC:	O67648
Organism:	Aquifex aeolicus
Reign:	Bacteria
TaxID:	224324
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	15 %
B	85 %

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Ligand binding site composition:

B-Factor:	53.990
Number of residues:	48
Including
Standard Amino Acids:	45
Non Standard Amino Acids:	2
Water Molecules:	1
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.982	1549.125

% Hydrophobic	% Polar
48.58	51.42
According to VolSite

HET Code:	TUX
Formula:	C22H41NO7
Molecular weight:	431.563 g/mol
DrugBank ID:	DB01991
Buried Surface Area:	59.69 %
Polar Surface area:	125.32 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	1
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	17

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Mass center Coordinates

X	Y	Z
-40.0771	67.0413	25.9453

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