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:	Tetracycline repressor protein class D
ID:	TETR4_ECOLX
AC:	P0ACT4
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	562
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	83 %
B	17 %

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Ligand binding site composition:

B-Factor:	47.268
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.563	884.250

% Hydrophobic	% Polar
53.44	46.56
According to VolSite

HET Code:	ITC
Formula:	C22H22ClN2O8
Molecular weight:	477.872 g/mol
DrugBank ID:	-
Buried Surface Area:	59.15 %
Polar Surface area:	174.31 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	4
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
29.8195	20.2522	55.9397

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