Het-PDB Navi2 (PDB: 5N1E)

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Ligands
Code	Name	Link
9NT	~{N}-(1,3-benzodioxol-5-yl)-2-piperidin-1-ium-1-yl-ethanamide	PoSSuM
DMS	Dimethyl sulfoxide	PoSSuM
MPD	(4s)-2-methyl-2,4-pentanediol	PoSSuM

Non-standard Residues
Code	Name	Show
SEP	Phosphoserine
TPO	Phosphothreonine

Glycosylation
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Modification
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Download interaction data: 5N1E

Code :

5N1E PDBj RCSB PDB PDBe

Header :

TRANSFERASE

Title :

cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylacetamide

Release Data :

2018-02-14

Compound :

mol_id	molecule	chains	synonym
1	cAMP-dependent protein kinase catalytic subunit alpha	A	PKA C-alpha
	ec: 2.7.11.11 other_details: Phosphorylation of S11, T198 and S339

mol_id	molecule	chains
2	cAMP-dependent protein kinase inhibitor	B
	fragment: UNP residues 12-30 other_details: cAMP dependent protein kinase inhibitor peptide

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Cricetulus griseus (taxid:10029)	Chinese hamster	Escherichia coli BL21(DE3) (taxid:469008)
	gene: PRKACA expression_system_variant: pLysS expression_system_vector_type: Plasmid expression_system_plasmid: pET-16bTEV

mol_id	organism_scientific	organism_common
2	Cricetulus griseus (taxid:10029)	Chinese hamster
	synthetic: yes

Authors :

Siefker, C., Heine, A., Klebe, G.

Keywords :

fragment, complex, transferase, serine threonine kinase, cAMP, kinase, PKA

Exp. method :

X-RAY DIFFRACTION ( 1.529 Å )

Citation :

A crystallographic fragment study with cAMP-dependent protein kinase A

Siefker, C.,Heine, A.,Klebe, G.
To Be Published

Chain :

UniProt :

P25321 (KAPCA_CRIGR)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein]	2.7.11.11	-
	-	-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein]	2.7.11.11	-
	-	-

PDB ID: 5N1E