Brand  (β version)

PDB ID: 3SHE

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Ligands
Code Name Style Show Link
I85 N-{4-[(3s)-4'-oxo-1',4',5',6'-tetrahydrospiro[piperidine-3,7'-pyrrolo[3,2-C]pyridin]-2'-yl]pyridin-2-yl}-3-(trifluoromethyl)benzamide PoSSuM
Non-standard Residues
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Structure summary

Code : 3SHE   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Novel ATP-competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series
Release Data : 2011-12-14
Compound :
mol_id molecule chains synonym
1 MAP kinase-activated protein kinase 3 A MK3, MAPK-activated protein kinase 3, MAPKAP kinase 3, MAPKAPK-3, Chromosome 3p kinase, 3pK
ec: 2.7.11.1
fragment: Kinase domain (UNP residues 33-349)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: MAPKAPK3
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pTrilJ-POPIN
Authors : Oubrie, A., Kazemier, B.
Keywords : Kinase domain with bound inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.25 Å )
Citation :

Novel ATP competitive MK2 inhibitors with potent biochemical and cell-based activity throughout the series.

Oubrie, A.,Kaptein, A.,de Zwart, E.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 613 - 618

PubMed: 22119462
DOI: 10.1016/j.bmcl.2011.10.071

Reaction

Chain : A
UniProt : Q16644 (MAPK3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:8774846
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:8774846
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