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:	Serine endoprotease DegS
ID:	DEGS_ECOLI
AC:	P0AEE3
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
C	100 %

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Ligand binding site composition:

B-Factor:	99.999
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.953	604.125

% Hydrophobic	% Polar
44.13	55.87
According to VolSite

HET Code:	TYR_ARG_PHE
Formula:	C24H33N6O5
Molecular weight:	485.556 g/mol
DrugBank ID:	-
Buried Surface Area:	44.25 %
Polar Surface area:	212.2 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	7
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	2
Rule of Five Violation:	2
Rotatable Bonds:	13

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Mass center Coordinates

X	Y	Z
-15.4177	74.1897	5.95189

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