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:	cGMP-dependent protein kinase, putative
ID:	A5K0N4_PLAVS
AC:	A5K0N4
Organism:	Plasmodium vivax
Reign:	Eukaryota
TaxID:	126793
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:	79.234
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.978	506.250

% Hydrophobic	% Polar
56.67	43.33
According to VolSite

HET Code:	1FB
Formula:	C15H16ClN5O
Molecular weight:	317.773 g/mol
DrugBank ID:	-
Buried Surface Area:	65.55 %
Polar Surface area:	78.85 Å2

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

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Mass center Coordinates

X	Y	Z
-25.6691	69.7748	30.4342

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