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:	Thymine dioxygenase
ID:	Q7RYZ9_NEUCR
AC:	Q7RYZ9
Organism:	Neurospora crassa
Reign:	Eukaryota
TaxID:	367110
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:	27.236
Number of residues:	16
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.438	732.375

% Hydrophobic	% Polar
45.62	54.38
According to VolSite

HET Code:	HMU
Formula:	C5H6N2O3
Molecular weight:	142.113 g/mol
DrugBank ID:	-
Buried Surface Area:	60 %
Polar Surface area:	78.42 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	3
Rings:	1
Aromatic rings:	0
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

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Mass center Coordinates

X	Y	Z
-27.0487	60.5152	-24.5644

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