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:	Quinolinate synthase A
ID:	NADA_PYRHO
AC:	O57767
Organism:	Pyrococcus horikoshii
Reign:	Archaea
TaxID:	70601
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:	20.804
Number of residues:	30
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	4
Water Molecules:	0
Cofactors:
Metals:	CL NA NA

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Cavity properties

Ligandability	Volume (Å3)
0.436	364.500

% Hydrophobic	% Polar
37.96	62.04
According to VolSite

HET Code:	NTM
Formula:	C7H3NO4
Molecular weight:	165.103 g/mol
DrugBank ID:	DB01796
Buried Surface Area:	66.77 %
Polar Surface area:	93.15 Å2

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

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Mass center Coordinates

X	Y	Z
-8.25875	-1.51283	-46.3913

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