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:	Nicotinate-nucleotide pyrophosphorylase
ID:	Q8TZS9_PYRFU
AC:	Q8TZS9
Organism:	Pyrococcus furiosus
Reign:	Archaea
TaxID:	186497
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
C	73 %
D	27 %

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Ligand binding site composition:

B-Factor:	57.615
Number of residues:	33
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.004	644.625

% Hydrophobic	% Polar
40.31	59.69
According to VolSite

HET Code:	PCP
Formula:	C6H10O13P3
Molecular weight:	383.057 g/mol
DrugBank ID:	DB03942
Buried Surface Area:	56.38 %
Polar Surface area:	264.08 Å2

Number of
H-Bond Acceptors:	13
H-Bond Donors:	2
Rings:	1
Aromatic rings:	0
Anionic atoms:	5
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	7

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Mass center Coordinates

X	Y	Z
120.037	145.657	-117.072

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