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:	Glycine betaine/carnitine/choline-binding protein OpuCC
ID:	OPUCC_BACSU
AC:	O32243
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
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:	25.430
Number of residues:	20
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.324	411.750

% Hydrophobic	% Polar
36.89	63.11
According to VolSite

HET Code:	4CS
Formula:	C6H10N2O2
Molecular weight:	142.156 g/mol
DrugBank ID:	-
Buried Surface Area:	75.76 %
Polar Surface area:	66.13 Å2

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

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Mass center Coordinates

X	Y	Z
15.9086	38.7862	28.9428

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