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
B	100 %

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Ligand binding site composition:

B-Factor:	6.085
Number of residues:	33
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	6
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.023	398.250

% Hydrophobic	% Polar
28.81	71.19
According to VolSite

HET Code:	0JB
Formula:	C15H10N7O
Molecular weight:	304.286 g/mol
DrugBank ID:	-
Buried Surface Area:	57.25 %
Polar Surface area:	110.54 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	4
Aromatic rings:	4
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

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Mass center Coordinates

X	Y	Z
26.8644	90.187	-6.76061

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