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:	Alanine--anticapsin ligase
ID:	BACD_BACSU
AC:	P39641
Organism:	Bacillus subtilis
Reign:	Bacteria
TaxID:	224308
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:	34.444
Number of residues:	37
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	3
Water Molecules:	2
Cofactors:	ADP
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
1.219	1316.250

% Hydrophobic	% Polar
36.92	63.08
According to VolSite

HET Code:	P0D
Formula:	C12H17NO7P2
Molecular weight:	349.213 g/mol
DrugBank ID:	-
Buried Surface Area:	69.25 %
Polar Surface area:	176.88 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	1
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	8

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Mass center Coordinates

X	Y	Z
-0.370591	-47.1757	-8.14227

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