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:	Stimulator of interferon genes protein
ID:	STING_NEMVE
AC:	A7SLZ2
Organism:	Nematostella vectensis
Reign:	Eukaryota
TaxID:	45351
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	48 %
B	52 %

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Ligand binding site composition:

B-Factor:	85.337
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.046	1009.125

% Hydrophobic	% Polar
45.15	54.85
According to VolSite

HET Code:	2BA
Formula:	C20H22N10O12P2
Molecular weight:	656.396 g/mol
DrugBank ID:	-
Buried Surface Area:	33.52 %
Polar Surface area:	334.95 Å2

Number of
H-Bond Acceptors:	20
H-Bond Donors:	4
Rings:	7
Aromatic rings:	4
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-21.6945	-37.4784	-2.83932

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