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:	Cytidine and deoxycytidylate deaminase zinc-binding region
ID:	Q82Y41_NITEU
AC:	Q82Y41
Organism:	Nitrosomonas europaea
Reign:	Bacteria
TaxID:	228410
EC Number:	/

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Chains:

Chain Name:	Percentage of Residues within binding site
A	96 %
B	4 %

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Ligand binding site composition:

B-Factor:	13.448
Number of residues:	26
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	1
Water Molecules:	3
Cofactors:
Metals:	ZN

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Cavity properties

Ligandability	Volume (Å3)
0.619	361.125

% Hydrophobic	% Polar
45.79	54.21
According to VolSite

HET Code:	CTN
Formula:	C9H13N3O5
Molecular weight:	243.217 g/mol
DrugBank ID:	DB02097
Buried Surface Area:	53.93 %
Polar Surface area:	128.61 Å2

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

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Mass center Coordinates

X	Y	Z
21.5798	32.4656	46.0637

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