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:	Periplasmic pH-dependent serine endoprotease DegQ
ID:	DEGQ_ECOLI
AC:	P39099
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	3.4.21.107

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Chains:

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

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Ligand binding site composition:

B-Factor:	68.892
Number of residues:	17
Including
Standard Amino Acids:	17
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.595	283.500

% Hydrophobic	% Polar
59.52	40.48
According to VolSite

HET Code:	UNK_UNK_UNK_UNK_UNK
Formula:	C15H28N5O5
Molecular weight:	358.413 g/mol
DrugBank ID:	-
Buried Surface Area:	34.88 %
Polar Surface area:	161.1 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	5
Rings:	0
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	9

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Mass center Coordinates

X	Y	Z
-32.9622	68.7748	-82.2512

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