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:	Decaprenylphosphoryl-beta-D-ribose oxidase
ID:	I6X8C4_MYCTU
AC:	I6X8C4
Organism:	Mycobacterium tuberculosis
Reign:	Bacteria
TaxID:	83332
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:	53.475
Number of residues:	32
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	FAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.948	691.875

% Hydrophobic	% Polar
46.34	53.66
According to VolSite

HET Code:	1W6
Formula:	C16H12N3O4S2
Molecular weight:	374.414 g/mol
DrugBank ID:	-
Buried Surface Area:	57.37 %
Polar Surface area:	155.94 Å2

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

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Mass center Coordinates

X	Y	Z
-24.5587	-24.3824	5.2664

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