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:	NADH pyrophosphatase
ID:	D6JHV3_ECOLX
AC:	D6JHV3
Organism:	Escherichia coli B354
Reign:	Bacteria
TaxID:	550677
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	56.703
Number of residues:	29
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.001	1269.000

% Hydrophobic	% Polar
46.01	53.99
According to VolSite

HET Code:	NMN
Formula:	C11H14N2O8P
Molecular weight:	333.211 g/mol
DrugBank ID:	DB03227
Buried Surface Area:	52.41 %
Polar Surface area:	178.89 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	2
Aromatic rings:	1
Anionic atoms:	2
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
140.072	8.88745	36.5649

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