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:	Nicotinamide/nicotinic acid mononucleotide adenylyltransferase 3
ID:	NMNA3_HUMAN
AC:	Q96T66
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	11 %
B	89 %

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Ligand binding site composition:

B-Factor:	32.739
Number of residues:	35
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	7
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.020	2747.250

% Hydrophobic	% Polar
40.91	59.09
According to VolSite

HET Code:	NMN
Formula:	C11H14N2O8P
Molecular weight:	333.211 g/mol
DrugBank ID:	DB03227
Buried Surface Area:	52.06 %
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
0.231727	-9.01123	22.5584

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