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:	Thiazole tautomerase
ID:	TENI_BACSU
AC:	P25053
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	16.807
Number of residues:	25
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.505	398.250

% Hydrophobic	% Polar
55.93	44.07
According to VolSite

HET Code:	3NM
Formula:	C7H7NO6PS
Molecular weight:	264.172 g/mol
DrugBank ID:	-
Buried Surface Area:	55.68 %
Polar Surface area:	163.49 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	0
Rings:	1
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
41.2342	28.8901	11.1829

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