Het-PDB Navi2 (PDB: 5M75)

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Ligands
Code	Name		Style	Show	Link
9K6	5-[[(2~{S})-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline				PoSSuM
DMS	Dimethyl sulfoxide				PoSSuM

Non-standard Residues
Code	Name	Show
SEP	Phosphoserine
TPO	Phosphothreonine

Glycosylation
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Download interaction data: 5M75

Code :

5M75 PDBj RCSB PDB PDBe

Header :

TRANSFERASE

Title :

Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with a (S)-methyl substitued Fasudil-derivative

Release Data :

2018-06-06

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: Phosphorylated at Ser11, Thr198, Ser339

mol_id	molecule	chains	synonym
2	cAMP-dependent protein kinase inhibitor alpha	B	PKI-alpha,cAMP-dependent protein kinase inhibitor,muscle/brain isoform
	other_details: Amino acids 5-24 from cAMP-dependent protein kinase inhibitor alpha from Sigma (order ID: P7739); the last amino acid is not well defined in the crystal structure

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Cricetulus griseus (taxid:10029)	Chinese hamster	Escherichia coli (taxid:562)
	gene: PRKACA

mol_id	organism_scientific	organism_common
2	Homo sapiens (taxid:9606)	Human
	synthetic: yes

Authors :

Wienen-Schmidt, B., Heine, A., Klebe, G.

Keywords :

PKA, Kinase, Fasudil-derivative, Inhibition, Cocrystal, 3x-Phosphorylated, transferase

Exp. method :

X-RAY DIFFRACTION ( 1.538 Å )

Citation :

Cocrystal structure of cAMP-dependent Protein Kinase (PKA) in complex with differently methylated Fasudil-derived ligands.

Wienen-Schmidt, B.,Jonker, H.,Gerber, H.D. et al.
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: 5M75