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:	Beta-lactamase
ID:	Q9L5C8_ECOLX
AC:	Q9L5C8
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	562
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:	7.493
Number of residues:	27
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	4
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.174	378.000

% Hydrophobic	% Polar
29.46	70.54
According to VolSite

HET Code:	DN3
Formula:	C17H18N6O
Molecular weight:	322.364 g/mol
DrugBank ID:	-
Buried Surface Area:	52.9 %
Polar Surface area:	86.31 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	3
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
-7.87954	55.88	12.1677

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