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
A	100 %

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Ligand binding site composition:

B-Factor:	99.999
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.605	1059.750

% Hydrophobic	% Polar
59.24	40.76
According to VolSite

HET Code:	VAL_TYR_GLN_PHE
Formula:	C28H37N5O7
Molecular weight:	555.623 g/mol
DrugBank ID:	-
Buried Surface Area:	38.85 %
Polar Surface area:	218.38 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	6
Rings:	2
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	3
Rotatable Bonds:	15

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Mass center Coordinates

X	Y	Z
0.29505	-34.3326	11.466

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