Brand  (β version)

PDB ID: 2C1B

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Ligands
Code Name Style Show Link
CQP (4r,2s)-5'-(4-(4-chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline PoSSuM
Non-standard Residues
Code Name Show
SEP Phosphoserine
TPO Phosphothreonine
Glycosylation
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Modification
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Structure summary

Code : 2C1B   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/INHIBITOR
Title : Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline
Release Data : 2005-11-02
Compound :
mol_id molecule chains synonym
1 CAMP-DEPENDENT PROTEIN KINASE A PROTEIN KINASE A, ALPHA-CATALYTIC SUBUNIT, PKA C-ALPHA
ec: 2.7.1.37
mol_id molecule chains synonym
2 CAMP-DEPENDENT PROTEIN KINASE INHIBITOR I ALPHA FORM, PKI-ALPHA, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN ISOFORM
Source :
mol_id organism_scientific expression_system
1 BOS TAURUS  (taxid:9913) ESCHERICHIA COLI  (taxid:562)
mol_id organism_scientific
2 HOMO SAPIENS  (taxid:9606)
synthetic: yes
Authors : Collins, I., Caldwell, J., Fonseca, T., Donald, A., Bavetsias, V., Hunter, L.J., Garrett, M.D., Rowlands, M.G., Aherne, G.W., Davies, T.G., Berdini, V., Woodhead, S.J., Seavers, L.C.A., Wyatt, P.G., Workman, P., McDonald, E.
Keywords : TRANSFERASE/INHIBITOR, COMPLEX (TRANSFERASE-INHIBITOR), ATP-BINDING, CAMP, PHOSPHORYLATION, TRANSFERASE, SERINE/THREONINE-PROTEIN KINASE, PROTEIN KINASE INHIBITOR, TRANSFERASE-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.

Collins, I.,Caldwell, J.,Fonseca, T.  et al.
(2006)  Bioorg. Med. Chem.  14 : 1255 - 1273

PubMed: 16249095
DOI: 10.1016/j.bmc.2005.09.055

Reaction

Chain : A
UniProt : P00517 (KAPCA_BOVIN)
Reaction: EC: Evidence:
Physiological Direction:
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 -
-
Chain : I
UniProt : P61925 (IPKA_HUMAN)
Reaction : -