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:	Sepiapterin reductase
ID:	SPRE_MOUSE
AC:	Q64105
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	1.1.1.153

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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:	18.904
Number of residues:	20
Including
Standard Amino Acids:	19
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
1.021	324.000

% Hydrophobic	% Polar
66.67	33.33
According to VolSite

HET Code:	ASE
Formula:	C12H14N2O2
Molecular weight:	218.252 g/mol
DrugBank ID:	DB04275
Buried Surface Area:	62.82 %
Polar Surface area:	65.12 Å2

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

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Mass center Coordinates

X	Y	Z
-15.9826	62.575	25.8931

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