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:	3-oxoacyl-[acyl-carrier-protein] synthase 2
ID:	FABF_ECOLI
AC:	P0AAI5
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	2.3.1.179

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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:	34.677
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)
1.137	475.875

% Hydrophobic	% Polar
46.10	53.90
According to VolSite

HET Code:	P9A
Formula:	C24H28NO7
Molecular weight:	442.482 g/mol
DrugBank ID:	DB08366
Buried Surface Area:	59.59 %
Polar Surface area:	135.99 Å2

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

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Mass center Coordinates

X	Y	Z
-23.7548	33.6962	4.87569

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