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 1
ID:	PTR1_LEIMA
AC:	Q01782
Organism:	Leishmania major
Reign:	Eukaryota
TaxID:	5664
EC Number:	1.5.1.33

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Chains:

Chain Name:	Percentage of Residues within binding site
B	92 %
C	8 %

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Ligand binding site composition:

B-Factor:	31.163
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NDP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.863	502.875

% Hydrophobic	% Polar
63.09	36.91
According to VolSite

HET Code:	TOP
Formula:	C14H18N4O3
Molecular weight:	290.318 g/mol
DrugBank ID:	DB00440
Buried Surface Area:	54.02 %
Polar Surface area:	105.51 Å2

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

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Mass center Coordinates

X	Y	Z
30.1407	34.1615	71.6821

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