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:	Pteridine reductase, putative
ID:	Q581W1_TRYB2
AC:	Q581W1
Organism:	Trypanosoma brucei brucei
Reign:	Eukaryota
TaxID:	185431
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

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Ligand binding site composition:

B-Factor:	18.325
Number of residues:	25
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.911	725.625

% Hydrophobic	% Polar
52.56	47.44
According to VolSite

HET Code:	DX1
Formula:	C12H18N6
Molecular weight:	246.312 g/mol
DrugBank ID:	-
Buried Surface Area:	67.86 %
Polar Surface area:	103.6 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	2
Rings:	2
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
8.03406	18.6402	61.0664

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