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_ECOLI
AC:	P0A725
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	/

---

Chains:

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

---

Ligand binding site composition:

B-Factor:	47.172
Number of residues:	38
Including
Standard Amino Acids:	36
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

---

Cavity properties

Ligandability	Volume (Å3)
1.034	590.625

% Hydrophobic	% Polar
48.00	52.00
According to VolSite

HET Code:	2CW
Formula:	C22H19N3O4
Molecular weight:	389.404 g/mol
DrugBank ID:	-
Buried Surface Area:	63.34 %
Polar Surface area:	121.84 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	2
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

---

Mass center Coordinates

X	Y	Z
192.119	101.309	5.04203

• 2D View
• 3D View