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:	A1JJJ9_YERE8
AC:	A1JJJ9
Organism:	Yersinia enterocolitica serotype O:8 / biotype 1B
Reign:	Bacteria
TaxID:	393305
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	20.777
Number of residues:	38
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
1.029	870.750

% Hydrophobic	% Polar
53.10	46.90
According to VolSite

HET Code:	C90
Formula:	C24H28N3O5
Molecular weight:	438.496 g/mol
DrugBank ID:	DB07536
Buried Surface Area:	55.75 %
Polar Surface area:	112.33 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	5
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-21.9655	-17.4928	-34.683

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