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:	Uridylate kinase
ID:	PYRH_SULSO
AC:	Q97ZE2
Organism:	Sulfolobus solfataricus
Reign:	Archaea
TaxID:	273057
EC Number:	2.7.4.22

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Chains:

Chain Name:	Percentage of Residues within binding site
A	6 %
E	94 %

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Ligand binding site composition:

B-Factor:	23.434
Number of residues:	34
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.177	516.375

% Hydrophobic	% Polar
39.22	60.78
According to VolSite

HET Code:	U5P
Formula:	C9H11N2O9P
Molecular weight:	322.165 g/mol
DrugBank ID:	-
Buried Surface Area:	66.32 %
Polar Surface area:	181.33 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	3
Rings:	2
Aromatic rings:	0
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	1
Rotatable Bonds:	4

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Mass center Coordinates

X	Y	Z
31.1794	-5.85229	-12.0822

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