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:	AMPC_ECOLI
AC:	P00811
Organism:	Escherichia coli
Reign:	Bacteria
TaxID:	83333
EC Number:	3.5.2.6

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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:	22.419
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.386	570.375

% Hydrophobic	% Polar
28.99	71.01
According to VolSite

HET Code:	DK2
Formula:	C18H11NO7
Molecular weight:	353.282 g/mol
DrugBank ID:	DB07663
Buried Surface Area:	49.35 %
Polar Surface area:	137.87 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
23.5069	6.61765	14.585

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