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:	cAMP-dependent protein kinase catalytic subunit alpha
ID:	KAPCA_BOVIN
AC:	P00517
Organism:	Bos taurus
Reign:	Eukaryota
TaxID:	9913
EC Number:	2.7.11.11

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Chains:

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

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Ligand binding site composition:

B-Factor:	27.139
Number of residues:	29
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.818	455.625

% Hydrophobic	% Polar
52.59	47.41
According to VolSite

HET Code:	ZO9
Formula:	C13H13N5O
Molecular weight:	255.275 g/mol
DrugBank ID:	-
Buried Surface Area:	80.26 %
Polar Surface area:	82.76 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	1
Rings:	4
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
-28.9779	-9.90011	-3.09595

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