Structure of PDB 5ekn Chain A

Receptor sequence
>5eknA (length=336) Species: 9606 (Homo sapiens) [Search protein sequence]
SLIRKKGFYKQDVNKTAWELPKTYVSPTHVGSGAYGSVCSAIDKRSGEKV
AIKKLSRPFQSEIFAKRAYRELLLLKHMQHENVIGLLDVFTPASSLRNFY
DFYLVMPFMQTDLQKIMGMEFSEEKIQYLVYQMLKGLKYIHSAGVVHRDL
KPGNLAVNEDCELKILDFVTRWYRAPEVILSWMHYNQTVDIWSVGCIMAE
MLTGKTLFKGKDYLDQLTQILKVTGVPGTEFVQKLNDKAAKSYIQSLPQT
PRKDFTQLFPRASPQAADLLEKMLELDVDKRLTAAQALTHPFFEPFRDPE
EETEAQQPFDDSLEHEKLTVDEWKQHIYKEIVNFSP
3D structure
PDB5ekn First comprehensive structural and biophysical analysis of MAPK13 inhibitors targeting DFG-in and DFG-out binding modes.
ChainA
Resolution2.594 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D150 K152 N155 D168 T185
Catalytic site (residue number reindexed from 1) D149 K151 N154 D167 T170
Enzyme Commision number 2.7.11.24: mitogen-activated protein kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 N58 A V39 A52 E72 M107 P108 F109 M110 D168 F169 V38 A51 E71 M106 P107 F108 M109 D167 F168 PDBbind-CN: -logKd/Ki=5.72,Kd=1.9uM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004707 MAP kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0000165 MAPK cascade
GO:0006468 protein phosphorylation
GO:0006970 response to osmotic stress
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0032755 positive regulation of interleukin-6 production
GO:0033554 cellular response to stress
GO:0034644 cellular response to UV
GO:0035556 intracellular signal transduction
GO:0050729 positive regulation of inflammatory response
GO:0051403 stress-activated MAPK cascade
GO:0070301 cellular response to hydrogen peroxide
GO:0071347 cellular response to interleukin-1
GO:0072709 cellular response to sorbitol
GO:0072740 cellular response to anisomycin
GO:1903936 cellular response to sodium arsenite
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ekn, PDBe:5ekn, PDBj:5ekn
PDBsum5ekn
PubMed27369736
UniProtO15264|MK13_HUMAN Mitogen-activated protein kinase 13 (Gene Name=MAPK13)

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