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:	DNA topoisomerase 4 subunit B
ID:	PARE_ENTFA
AC:	H7C794
Organism:	Enterococcus faecalis
Reign:	Bacteria
TaxID:	226185
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	84 %
G	16 %

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Ligand binding site composition:

B-Factor:	44.962
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.598	438.750

% Hydrophobic	% Polar
46.15	53.85
According to VolSite

HET Code:	19Y
Formula:	C15H14N4O2S
Molecular weight:	314.362 g/mol
DrugBank ID:	-
Buried Surface Area:	67.68 %
Polar Surface area:	106.06 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	1
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
10.2274	39.452	-5.90818

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