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	95 %
I	5 %

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Ligand binding site composition:

B-Factor:	27.453
Number of residues:	22
Including
Standard Amino Acids:	21
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

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Cavity properties

Ligandability	Volume (Å3)
0.874	756.000

% Hydrophobic	% Polar
44.20	55.80
According to VolSite

HET Code:	LL2
Formula:	C10H10N2S
Molecular weight:	190.265 g/mol
DrugBank ID:	DB08114
Buried Surface Area:	70.37 %
Polar Surface area:	67.14 Å2

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

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Mass center Coordinates

X	Y	Z
7.14031	9.85792	3.96892

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