Structure of PDB 3gfe Chain A

Receptor sequence
>3gfeA (length=352) Species: 9606 (Homo sapiens) [Search protein sequence]
MSQERPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRV
AVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFN
DVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRD
LKPSNLAVNEDCELKILDFGLARHTDDEMTGYVATRWYRAPEIMLNWMHY
NQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKI
SSESARNYIQSLTQMPKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAA
QALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSLTYDEVISFVP
PP
3D structure
PDB3gfe Part 1: Structure-Activity Relationship (SAR) investigations of fused pyrazoles as potent, selective and orally available inhibitors of p38alpha mitogen-activated protein kinase.
ChainA
Resolution2.1 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) D150 K152 N155 D168 T185
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 P37 A A51 K53 E71 T106 M109 G110 L167 D168 F169 L171 A51 K53 E71 T106 M109 G110 L167 D168 F169 L171 MOAD: ic50=3.2nM
PDBbind-CN: -logKd/Ki=8.49,IC50=3.2nM
BindingDB: IC50=3.2nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004674 protein serine/threonine kinase activity
GO:0004707 MAP kinase activity
GO:0004708 MAP kinase kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019899 enzyme binding
GO:0019903 protein phosphatase binding
GO:0048273 mitogen-activated protein kinase p38 binding
GO:0051525 NFAT protein binding
GO:0106310 protein serine kinase activity
Biological Process
GO:0000077 DNA damage checkpoint signaling
GO:0000165 MAPK cascade
GO:0000902 cell morphogenesis
GO:0001502 cartilage condensation
GO:0001525 angiogenesis
GO:0001649 osteoblast differentiation
GO:0001890 placenta development
GO:0002021 response to dietary excess
GO:0002062 chondrocyte differentiation
GO:0002862 negative regulation of inflammatory response to antigenic stimulus
GO:0006006 glucose metabolic process
GO:0006355 regulation of DNA-templated transcription
GO:0006357 regulation of transcription by RNA polymerase II
GO:0006366 transcription by RNA polymerase II
GO:0006468 protein phosphorylation
GO:0006915 apoptotic process
GO:0006935 chemotaxis
GO:0006974 DNA damage response
GO:0007165 signal transduction
GO:0007166 cell surface receptor signaling pathway
GO:0007178 cell surface receptor protein serine/threonine kinase signaling pathway
GO:0007519 skeletal muscle tissue development
GO:0010628 positive regulation of gene expression
GO:0010831 positive regulation of myotube differentiation
GO:0016310 phosphorylation
GO:0018105 peptidyl-serine phosphorylation
GO:0019395 fatty acid oxidation
GO:0030168 platelet activation
GO:0030278 regulation of ossification
GO:0030316 osteoclast differentiation
GO:0031098 stress-activated protein kinase signaling cascade
GO:0031281 positive regulation of cyclase activity
GO:0031663 lipopolysaccharide-mediated signaling pathway
GO:0032495 response to muramyl dipeptide
GO:0032496 response to lipopolysaccharide
GO:0032735 positive regulation of interleukin-12 production
GO:0032868 response to insulin
GO:0033554 cellular response to stress
GO:0035331 negative regulation of hippo signaling
GO:0035556 intracellular signal transduction
GO:0035924 cellular response to vascular endothelial growth factor stimulus
GO:0035994 response to muscle stretch
GO:0038066 p38MAPK cascade
GO:0042307 positive regulation of protein import into nucleus
GO:0042770 signal transduction in response to DNA damage
GO:0043536 positive regulation of blood vessel endothelial cell migration
GO:0045648 positive regulation of erythrocyte differentiation
GO:0045663 positive regulation of myoblast differentiation
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046323 D-glucose import
GO:0046326 positive regulation of D-glucose import
GO:0048010 vascular endothelial growth factor receptor signaling pathway
GO:0048863 stem cell differentiation
GO:0051146 striated muscle cell differentiation
GO:0051149 positive regulation of muscle cell differentiation
GO:0051403 stress-activated MAPK cascade
GO:0060045 positive regulation of cardiac muscle cell proliferation
GO:0060348 bone development
GO:0070935 3'-UTR-mediated mRNA stabilization
GO:0071222 cellular response to lipopolysaccharide
GO:0071223 cellular response to lipoteichoic acid
GO:0071356 cellular response to tumor necrosis factor
GO:0071479 cellular response to ionizing radiation
GO:0071493 cellular response to UV-B
GO:0090090 negative regulation of canonical Wnt signaling pathway
GO:0090336 positive regulation of brown fat cell differentiation
GO:0090398 cellular senescence
GO:0090400 stress-induced premature senescence
GO:0098586 cellular response to virus
GO:0099179 regulation of synaptic membrane adhesion
GO:1900015 regulation of cytokine production involved in inflammatory response
GO:1901741 positive regulation of myoblast fusion
GO:2000379 positive regulation of reactive oxygen species metabolic process
Cellular Component
GO:0000922 spindle pole
GO:0005576 extracellular region
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol
GO:0016607 nuclear speck
GO:0034774 secretory granule lumen
GO:0098978 glutamatergic synapse
GO:1904813 ficolin-1-rich granule lumen

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3gfe, PDBe:3gfe, PDBj:3gfe
PDBsum3gfe
PubMed19574047
UniProtQ16539|MK14_HUMAN Mitogen-activated protein kinase 14 (Gene Name=MAPK14)

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