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:	Dehydrosqualene synthase
ID:	CRTM_STAAU
AC:	A9JQL9
Organism:	Staphylococcus aureus
Reign:	Bacteria
TaxID:	1280
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	31.779
Number of residues:	32
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	3
Water Molecules:	0
Cofactors:
Metals:	MG MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.347	982.125

% Hydrophobic	% Polar
42.61	57.39
According to VolSite

HET Code:	651
Formula:	C19H22NO
Molecular weight:	280.384 g/mol
DrugBank ID:	-
Buried Surface Area:	62.05 %
Polar Surface area:	24.67 Å2

Number of
H-Bond Acceptors:	1
H-Bond Donors:	2
Rings:	5
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
26.178	-14.342	8.16929

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