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:	Putative FAD-monooxygenase
ID:	Q8KI25_NOCAE
AC:	Q8KI25
Organism:	Lechevalieria aerocolonigenes
Reign:	Bacteria
TaxID:	68170
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:	56.465
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.387	2133.000

% Hydrophobic	% Polar
49.21	50.79
According to VolSite

HET Code:	KCT
Formula:	C21H12N3O3
Molecular weight:	354.338 g/mol
DrugBank ID:	-
Buried Surface Area:	66.78 %
Polar Surface area:	100.81 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	3
Rings:	6
Aromatic rings:	5
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
20.6843	-26.1823	15.0759

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