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:	Metallo-beta-lactamase type 2
ID:	BLAB_BACFG
AC:	P25910
Organism:	Bacteroides fragilis
Reign:	Bacteria
TaxID:	817
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:	4.704
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	ZN ZN

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Cavity properties

Ligandability	Volume (Å3)
0.724	496.125

% Hydrophobic	% Polar
56.46	43.54
According to VolSite

HET Code:	061
Formula:	C26H23N6O2
Molecular weight:	451.500 g/mol
DrugBank ID:	-
Buried Surface Area:	51.48 %
Polar Surface area:	105.67 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	1
Rings:	5
Aromatic rings:	4
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
7.94974	38.4839	-1.14621

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