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:	IAG-nucleoside hydrolase
ID:	Q9GPQ4_TRYVI
AC:	Q9GPQ4
Organism:	Trypanosoma vivax
Reign:	Eukaryota
TaxID:	5699
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:	22.764
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	CA

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Cavity properties

Ligandability	Volume (Å3)
0.616	678.375

% Hydrophobic	% Polar
47.26	52.74
According to VolSite

HET Code:	NOS
Formula:	C10H12N4O5
Molecular weight:	268.226 g/mol
DrugBank ID:	DB04335
Buried Surface Area:	63.51 %
Polar Surface area:	133.75 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
-0.157421	3.16758	30.8466

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