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
D	100 %

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Ligand binding site composition:

B-Factor:	15.493
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.502	523.125

% Hydrophobic	% Polar
60.00	40.00
According to VolSite

HET Code:	TL6
Formula:	C10H11O2S
Molecular weight:	195.258 g/mol
DrugBank ID:	DB08628
Buried Surface Area:	76.61 %
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
-4.20592	40.5472	30.1121

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