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:	Biphenyl-2,3-diol 1,2-dioxygenase
ID:	BPHC_BURXL
AC:	P47228
Organism:	Burkholderia xenovorans
Reign:	Bacteria
TaxID:	266265
EC Number:	1.13.11.39

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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:	18.082
Number of residues:	27
Including
Standard Amino Acids:	25
Non Standard Amino Acids:	2
Water Molecules:	0
Cofactors:
Metals:	FE2

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Cavity properties

Ligandability	Volume (Å3)
0.808	398.250

% Hydrophobic	% Polar
59.32	40.68
According to VolSite

HET Code:	BPY
Formula:	C12H10O2
Molecular weight:	186.207 g/mol
DrugBank ID:	DB02923
Buried Surface Area:	73.56 %
Polar Surface area:	40.46 Å2

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

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Mass center Coordinates

X	Y	Z
22.4927	-22.5686	72.4227

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