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:	Uncharacterized protein
ID:	Q9I012_PSEAE
AC:	Q9I012
Organism:	Pseudomonas aeruginosa
Reign:	Bacteria
TaxID:	208964
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:	7.530
Number of residues:	29
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	4
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.253	354.375

% Hydrophobic	% Polar
45.71	54.29
According to VolSite

HET Code:	GEM
Formula:	C7H12N3O4S
Molecular weight:	234.253 g/mol
DrugBank ID:	DB04489
Buried Surface Area:	59.89 %
Polar Surface area:	169.2 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	0
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-1.67047	-7.59073	8.42913

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