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:	TetX family tetracycline inactivation enzyme
ID:	Q93L51_BACT4
AC:	Q93L51
Organism:	Bacteroides thetaiotaomicron
Reign:	Bacteria
TaxID:	818
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
D	100 %

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Ligand binding site composition:

B-Factor:	55.342
Number of residues:	32
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.034	1117.125

% Hydrophobic	% Polar
45.92	54.08
According to VolSite

HET Code:	I7T
Formula:	C21H19IN2O7
Molecular weight:	538.289 g/mol
DrugBank ID:	-
Buried Surface Area:	57.83 %
Polar Surface area:	171.08 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	4
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
0.937258	-32.7159	14.4845

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