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
A	100 %

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Ligand binding site composition:

B-Factor:	59.498
Number of residues:	34
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.667	482.625

% Hydrophobic	% Polar
47.55	52.45
According to VolSite

HET Code:	T1C
Formula:	C29H38N5O8
Molecular weight:	584.641 g/mol
DrugBank ID:	-
Buried Surface Area:	48.12 %
Polar Surface area:	220.02 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	5
Rings:	4
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	2
Rule of Five Violation:	2
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
-0.473381	10.4082	23.2039

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