2qd9 Summary


P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds

The structure was published by Murali Dhar, T.G., Wrobleski, S.T., Lin, S., et al., Dodd, J.H., Schieven, G.L., and Leftheris, K., in 2007 in a paper entitled "Synthesis and SAR of p38alpha MAP kinase inhibitors based on heterobicyclic scaffolds." (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 1.7 Å and deposited in 2007.

The experimental data on which the structure is based was also deposited.

The PDB entry contains the structure of Mitogen-activated protein kinase 14. This molecule has the UniProt identifier Q16539 (MK14_HUMAN)search. The sample contained 366 residues which is 100% of the natural sequence. Out of 366 residues 330 were observed and are deposited in the PDB.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule is most likely monomeric.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):

Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Mitogen-activated protein kinase 14 Q16539 (2-360) (MK14_HUMAN)search Homo sapienssearch 97% 366 90%

This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q16539 (2 - 360) Mitogen-activated protein kinase 14 Homo sapiens

Chain Structural classification (SCOP) Structural classification (CATH) Sequence family (Pfam)
A (Q16539) Protein kinases, catalytic subunitsearch Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search PF00069: Protein kinase domainsearch

Chain ID Molecular function (GO) Cellular component (GO) Biological process (GO)
A (Q16539) protein kinase activitysearch protein serine/threonine kinase activitysearch protein bindingsearch MAP kinase activitysearch ATP bindingsearch transferase activity, transferring phosphorus-containing groupssearch nucleotide bindingsearch transferase activitysearch NFAT protein bindingsearch MAP kinase kinase activitysearch kinase activitysearch cytosolsearch nucleoplasmsearch nucleussearch cytoplasmsearch extracellular vesicular exosomesearch cellsearch spindle polesearch mitochondrionsearch chondrocyte differentiationsearch positive regulation of reactive oxygen species metabolic processsearch toll-like receptor signaling pathwaysearch muscle cell differentiationsearch transmembrane receptor protein serine/threonine kinase signaling pathwaysearch regulation of transcription, DNA-templatedsearch skeletal muscle tissue developmentsearch positive regulation of myoblast differentiationsearch blood coagulationsearch vascular endothelial growth factor receptor signaling pathwaysearch cellular component movementsearch protein phosphorylationsearch cell morphogenesissearch positive regulation of myotube differentiationsearch toll-like receptor TLR1:TLR2 signaling pathwaysearch regulation of sequence-specific DNA binding transcription factor activitysearch cellular response to lipopolysaccharidesearch positive regulation of erythrocyte differentiationsearch positive regulation of myoblast fusionsearch phosphorylationsearch positive regulation of muscle cell differentiationsearch cellular response to vascular endothelial growth factor stimulussearch regulation of transcription from RNA polymerase II promotersearch signal transductionsearch MyD88-independent toll-like receptor signaling pathwaysearch innate immune responsesearch p38MAPK cascadesearch MyD88-dependent toll-like receptor signaling pathwaysearch response to stresssearch lipopolysaccharide-mediated signaling pathwaysearch toll-like receptor 4 signaling pathwaysearch intracellular signal transductionsearch cell surface receptor signaling pathwaysearch apoptotic processsearch peptidyl-serine phosphorylationsearch fatty acid oxidationsearch DNA damage checkpointsearch toll-like receptor TLR6:TLR2 signaling pathwaysearch toll-like receptor 5 signaling pathwaysearch response to lipopolysaccharidesearch RNA metabolic processsearch mRNA metabolic processsearch osteoclast differentiationsearch striated muscle cell differentiationsearch activation of MAPK activitysearch response to muramyl dipeptidesearch stress-induced premature senescencesearch negative regulation of canonical Wnt signaling pathwaysearch TRIF-dependent toll-like receptor signaling pathwaysearch neurotrophin TRK receptor signaling pathwaysearch signal transduction in response to DNA damagesearch chemotaxissearch platelet activationsearch myoblast differentiation involved in skeletal muscle regenerationsearch positive regulation of protein import into nucleussearch cartilage condensationsearch toll-like receptor 2 signaling pathwaysearch positive regulation of transcription from RNA polymerase II promotersearch angiogenesissearch gene expressionsearch toll-like receptor 10 signaling pathwaysearch transcription, DNA-templatedsearch 3'-UTR-mediated mRNA stabilizationsearch Ras protein signal transductionsearch glucose metabolic processsearch cellular response to ionizing radiationsearch toll-like receptor 3 signaling pathwaysearch cellular response to DNA damage stimulussearch stress-activated MAPK cascadesearch positive regulation of blood vessel endothelial cell migrationsearch toll-like receptor 9 signaling pathwaysearch

Chain InterPro annotation
A Protein kinase domainsearch Serine/threonine/dual specificity protein kinase, catalytic domainsearch Mitogen-activated protein (MAP) kinase, conserved sitesearch Mitogen-activated protein (MAP) kinase, p38search Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch