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:	Transcriptional regulator TcaR
ID:	Q5HLN6_STAEQ
AC:	Q5HLN6
Organism:	Staphylococcus epidermidis
Reign:	Bacteria
TaxID:	176279
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	70 %
B	30 %

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Ligand binding site composition:

B-Factor:	51.944
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.673	1836.000

% Hydrophobic	% Polar
42.28	57.72
According to VolSite

HET Code:	LCL
Formula:	C11H11Cl2N2O5
Molecular weight:	322.121 g/mol
DrugBank ID:	-
Buried Surface Area:	53.17 %
Polar Surface area:	123.99 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	1
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-14.9396	-39.3618	-2.943

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