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 PA1000
ID:	Y1000_PSEAE
AC:	P20581
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:	35.225
Number of residues:	31
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	FE FE

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Cavity properties

Ligandability	Volume (Å3)
1.060	513.000

% Hydrophobic	% Polar
65.79	34.21
According to VolSite

HET Code:	B4N
Formula:	C12H8N2O8P
Molecular weight:	339.174 g/mol
DrugBank ID:	DB07418
Buried Surface Area:	73.14 %
Polar Surface area:	160.03 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	0
Rings:	2
Aromatic rings:	2
Anionic atoms:	3
Cationic atoms:	2
Rule of Five Violation:	0
Rotatable Bonds:	6

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Mass center Coordinates

X	Y	Z
-17.5115	2.33339	-11.2094

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