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:	A4JL30_BURVG
AC:	A4JL30
Organism:	Burkholderia vietnamiensis )
Reign:	Bacteria
TaxID:	269482
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	7.519
Number of residues:	34
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.064	452.250

% Hydrophobic	% Polar
44.03	55.97
According to VolSite

HET Code:	N32
Formula:	C24H26NO6
Molecular weight:	424.466 g/mol
DrugBank ID:	-
Buried Surface Area:	59.59 %
Polar Surface area:	126.76 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	4
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
5.29619	4.24071	-44.4764

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