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:	Probable nicotinate-nucleotide adenylyltransferase
ID:	NADD_PSEAE
AC:	Q9HX21
Organism:	Pseudomonas aeruginosa
Reign:	Bacteria
TaxID:	208964
EC Number:	2.7.7.18

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Chains:

Chain Name:	Percentage of Residues within binding site
A	96 %
C	4 %

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Ligand binding site composition:

B-Factor:	31.404
Number of residues:	24
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.509	479.250

% Hydrophobic	% Polar
35.92	64.08
According to VolSite

HET Code:	NCN
Formula:	C11H12NO9P
Molecular weight:	333.188 g/mol
DrugBank ID:	DB02382
Buried Surface Area:	35.28 %
Polar Surface area:	175.93 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	2
Rings:	2
Aromatic rings:	1
Anionic atoms:	3
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
76.8231	61.3278	10.9756

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