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:	Glutaryl-CoA dehydrogenase
ID:	Q3JP94_BURP1
AC:	Q3JP94
Organism:	Burkholderia pseudomallei
Reign:	Bacteria
TaxID:	320372
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	35.545
Number of residues:	21
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.594	762.750

% Hydrophobic	% Polar
67.70	32.30
According to VolSite

HET Code:	341
Formula:	C7H6F2O
Molecular weight:	144.119 g/mol
DrugBank ID:	-
Buried Surface Area:	51.27 %
Polar Surface area:	20.23 Å2

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

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Mass center Coordinates

X	Y	Z
-15.2108	71.3631	3.6592

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