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 1
ID:	FABB_ECOLI
AC:	P0A953
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	2.3.1.41

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Chains:

Chain Name:	Percentage of Residues within binding site
A	97 %
B	3 %

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Ligand binding site composition:

B-Factor:	23.570
Number of residues:	35
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	5
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.346	502.875

% Hydrophobic	% Polar
53.69	46.31
According to VolSite

HET Code:	TL5
Formula:	C12H15O2S
Molecular weight:	223.311 g/mol
DrugBank ID:	DB08627
Buried Surface Area:	76.64 %
Polar Surface area:	65.42 Å2

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

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Mass center Coordinates

X	Y	Z
25.1486	90.1045	0.603267

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