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:	Enoyl-[acyl-carrier-protein] reductase [NADH]
ID:	Q63SW7_BURPS
AC:	Q63SW7
Organism:	Burkholderia pseudomallei
Reign:	Bacteria
TaxID:	272560
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:	19.764
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.248	985.500

% Hydrophobic	% Polar
51.37	48.63
According to VolSite

HET Code:	0WE
Formula:	C22H23N3O3
Molecular weight:	377.436 g/mol
DrugBank ID:	-
Buried Surface Area:	56.72 %
Polar Surface area:	75.44 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
48.7771	-16.3118	-12.7397

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