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:	Pentaerythritol tetranitrate reductase
ID:	P71278_ENTCL
AC:	P71278
Organism:	Enterobacter cloacae
Reign:	Bacteria
TaxID:	550
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:	21.456
Number of residues:	23
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	FMN
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.340	357.750

% Hydrophobic	% Polar
42.45	57.55
According to VolSite

HET Code:	ANB
Formula:	C19H24O2
Molecular weight:	284.393 g/mol
DrugBank ID:	DB07373
Buried Surface Area:	62.91 %
Polar Surface area:	34.14 Å2

Number of
H-Bond Acceptors:	2
H-Bond Donors:	0
Rings:	4
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	0

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Mass center Coordinates

X	Y	Z
21.525	11.9931	18.5816

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