sc-PDB

List of CHEMBLId :

CHEMBL1222313

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
B	100 %

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Ligand binding site composition:

B-Factor:	15.019
Number of residues:	26
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.360	489.375

% Hydrophobic	% Polar
29.66	70.34
According to VolSite

HET Code:	HTC
Formula:	C12H6NO7S2
Molecular weight:	340.309 g/mol
DrugBank ID:	DB07927
Buried Surface Area:	51.76 %
Polar Surface area:	185.35 Å2

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

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Mass center Coordinates

X	Y	Z
-1.02291	5.1715	74.2711

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