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:	Cis-2,3-dihydrobiphenyl-2,3-diol dehydrogenase
ID:	BPHB_COMTE
AC:	Q46381
Organism:	Comamonas testosteroni
Reign:	Bacteria
TaxID:	285
EC Number:	1.3.1.56

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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:	39.328
Number of residues:	26
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAD
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.783	411.750

% Hydrophobic	% Polar
59.02	40.98
According to VolSite

HET Code:	BPY
Formula:	C12H10O2
Molecular weight:	186.207 g/mol
DrugBank ID:	DB02923
Buried Surface Area:	68.51 %
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
-2.19321	-20.988	-3.96557

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