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_CHLTE
AC:	Q8KES3
Organism:	Chlorobium tepidum
Reign:	Bacteria
TaxID:	194439
EC Number:	/

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Chains:

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

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Ligand binding site composition:

B-Factor:	21.170
Number of residues:	24
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:	NAP
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.893	337.500

% Hydrophobic	% Polar
65.00	35.00
According to VolSite

HET Code:	BIO
Formula:	C9H11N5O3
Molecular weight:	237.215 g/mol
DrugBank ID:	DB03886
Buried Surface Area:	63.77 %
Polar Surface area:	133.72 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	4
Rings:	2
Aromatic rings:	1
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	2

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Mass center Coordinates

X	Y	Z
35.7197	36.0541	15.8405

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