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:	Putative choline kinase
ID:	Q5CUP2_CRYPI
AC:	Q5CUP2
Organism:	Cryptosporidium parvum
Reign:	Eukaryota
TaxID:	353152
EC Number:	/

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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:	21.801
Number of residues:	20
Including
Standard Amino Acids:	16
Non Standard Amino Acids:	2
Water Molecules:	2
Cofactors:	ADP
Metals:	MG

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Cavity properties

Ligandability	Volume (Å3)
0.564	641.250

% Hydrophobic	% Polar
35.79	64.21
According to VolSite

HET Code:	PT3
Formula:	C7H12NO5
Molecular weight:	190.174 g/mol
DrugBank ID:	DB03390
Buried Surface Area:	54.68 %
Polar Surface area:	109.69 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	3
Rings:	0
Aromatic rings:	0
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	5

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Mass center Coordinates

X	Y	Z
13.9545	2.79046	37.5922

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