Brand  (β version)

PDB ID: 4L8M

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Ligands
Code Name Style Show Link
F46 N-[2-fluoro-5-({9-[2-(morpholin-4-yl)ethoxy]-11-oxo-6,11-dihydrodibenzo[B,E]oxepin-3-yl}amino)phenyl]benzamide PoSSuM
BOG Octyl beta-D-glucopyranoside PoSSuM
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Structure summary

Code : 4L8M   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Human p38 MAP kinase in complex with a Dibenzoxepinone
Release Data : 2013-10-30
Compound :
mol_id molecule chains synonym
1 Mitogen-activated protein kinase 14 A MAP kinase 14, MAPK 14, Cytokine suppressive anti-inflammatory drug-binding protein, CSAID-binding protein, CSBP, MAP kinase MXI2, MAX-interacting protein 2, Mitogen-activated protein kinase p38 alpha, MAP kinase p38 alpha, Stress-activated protein kinase 2a, SAPK2a
ec: 2.7.11.24
fragment: p38 MAP Kinase
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: MAPK14, CSBP, CSBP1, CSBP2, CSPB1, MXI2, SAPK2A
expression_system_strain: BL21 (DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pGEX 6P-1
Authors : Richters, A., Mayer-Wrangowski, S.C., Gruetter, C., Rauh, D.
Keywords : protein kinase, selective p38 inhibitor, SAR, Dibenzoxepinone derivative, Dibenzoxepinone, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.1000 Å )
Citation :

Metabolically Stable Dibenzo[b,e]oxepin-11(6H)-ones as Highly Selective p38 MAP Kinase Inhibitors: Optimizing Anti-Cytokine Activity in Human Whole Blood.

Baur, B.,Storch, K.,Martz, K.E.  et al.
(2013)  J.Med.Chem.  56 : 8561 - 8578

PubMed: 24131218
DOI: 10.1021/jm401276h

Reaction

Chain : A
UniProt : Q16539 (MK14_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.24 PubMed:11010976, PubMed:35857590
left-to-right
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.24 PubMed:11010976, PubMed:35857590
left-to-right PubMed:11010976, PubMed:35857590