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:	39.886
Number of residues:	24
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	ZN ZN

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Cavity properties

Ligandability	Volume (Å3)
0.342	492.750

% Hydrophobic	% Polar
51.37	48.63
According to VolSite

HET Code:	113
Formula:	C15H13O8
Molecular weight:	321.259 g/mol
DrugBank ID:	DB02593
Buried Surface Area:	47.11 %
Polar Surface area:	125.35 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	2
Rings:	3
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-8.72852	-28.7113	17.5705

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