Brand  (β version)

PDB ID: 3R2B

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Ligands
Code Name Style Show Link
05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-C]pyridin]-4'(1'H)-one PoSSuM
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Structure summary

Code : 3R2B   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : MK2 kinase bound to Compound 5b
Release Data : 2011-05-25
Compound :
mol_id molecule chains synonym
1 MAP kinase-activated protein kinase 2 A,B,C,D,E,F,G,H,I,J,K,L MAPK-activated protein kinase 2, MAPKAP kinase 2, MAPKAPK-2, MK2
ec: 2.7.11.1
fragment: UNP residues 47-364
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:511693)
gene: MAPKAPK2
expression_system_strain: BL21
expression_system_vector_type: plasmid
Authors : Oubrie, A., van Zeeland, M., Versteegh, J.
Keywords : Kinase domain with bound inhibitor, Kinase domain, Phosphotransferase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.9000 Å )
Citation :

Structure-based lead identification of ATP-competitive MK2 inhibitors.

Barf, T.,Kaptein, A.,Wilde, S.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 3818 - 3822

PubMed: 21565500
DOI: 10.1016/j.bmcl.2011.04.018

Reaction

Chain : A, B, C, D, E, F, G, H, I, J, K, L
UniProt : P49137 (MAPK2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 PubMed:12171911, PubMed:8774846
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ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 PubMed:12171911, PubMed:8774846
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