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:	Carboxyethyl-arginine beta-lactam-synthase
ID:	BLS_STRCL
AC:	P0DJQ7
Organism:	Streptomyces clavuligerus
Reign:	Bacteria
TaxID:	1901
EC Number:	6.3.3.4

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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:	29.806
Number of residues:	29
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	3
Water Molecules:	1
Cofactors:	AMP
Metals:	MG MG

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Cavity properties

Ligandability	Volume (Å3)
0.662	502.875

% Hydrophobic	% Polar
50.34	49.66
According to VolSite

HET Code:	PCX
Formula:	C9H16N4O3
Molecular weight:	228.248 g/mol
DrugBank ID:	DB02475
Buried Surface Area:	67.82 %
Polar Surface area:	124.07 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	1
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
-7.3092	88.6233	60.5947

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