Brand  (β version)

PDB ID: 6E99

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J0G 2-[(2-aminoethyl)amino]-N-[(1r)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide PoSSuM

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Non-standard Residues
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SEP Phosphoserine
TPO Phosphothreonine
Glycosylation
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Structure summary

Code : 6E99   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor.
Release Data : 2018-11-14
Compound :
mol_id molecule chains synonym
1 cAMP-dependent protein kinase catalytic subunit alpha A PKA C-alpha
ec: 2.7.11.11
mol_id molecule chains synonym
2 PKI peptide B PKI-alpha,cAMP-dependent protein kinase inhibitor,muscle/brain isoform
Source :
mol_id organism_scientific organism_common expression_system
1 Bos taurus  (taxid:9913) Bovine Escherichia coli  (taxid:562)
gene: PRKACA
mol_id organism_scientific organism_common
2 Homo sapiens  (taxid:9606) Human
synthetic: yes
Authors : Judge, R.A., Hobson, A.D.
Keywords : Protein Kinase A, kinase, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 1.8800 Å )
Citation :

Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design.

Hobson, A.D.,Judge, R.A.,Aguirre, A.L.  et al.
(2018)  J. Med. Chem.  61 : 11074 - 11100

PubMed: 30384606
DOI: 10.1021/acs.jmedchem.8b01098

Reaction

Chain : A
UniProt : P00517 (KAPCA_BOVIN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.11 UniProtKB:P17612
-
L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.11 UniProtKB:P17612
-
Chain : B
UniProt : P61925 (IPKA_HUMAN)
Reaction : -