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	100 %

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Ligand binding site composition:

B-Factor:	22.780
Number of residues:	30
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
1.074	594.000

% Hydrophobic	% Polar
47.73	52.27
According to VolSite

HET Code:	CTC
Formula:	C22H21ClN2O8
Molecular weight:	476.864 g/mol
DrugBank ID:	DB09093
Buried Surface Area:	57.78 %
Polar Surface area:	191.3 Å2

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

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Mass center Coordinates

X	Y	Z
21.2214	36.7432	35.1532

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