PDBsum entry 3cgo

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protein ligands links
Transferase PDB id
Protein chain
332 a.a. *
Waters ×54
* Residue conservation analysis
PDB id:
Name: Transferase
Title: Irak-4 inhibitors (part ii)- a structure based assessment of imidazo[1,2 a]pyridine binding
Structure: Mitogen-activated protein kinase 10. Chain: a. Fragment: protein kinase domain, unp residues 40-402. Synonym: stress-activated protein kinase jnk3, c-jun n- terminal kinase 3, map kinase p49 3f12. Engineered: yes
Source: Homo sapiens. Human. Gene: mapk10, jnk3, jnk3a, prkm10. Expressed in: escherichia coli
3.00Å     R-factor:   0.243     R-free:   0.318
Authors: T.A.Ceska,A.Platt,M.Fortunato,K.M.Dickson,R.Beevers
Key ref: G.M.Buckley et al. (2008). IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding. Bioorg Med Chem Lett, 18, 3291-3295. PubMed id: 18482836 DOI: 10.1016/j.bmcl.2008.04.039
06-Mar-08     Release date:   03-Jun-08    
Go to PROCHECK summary

Protein chain
Pfam   ArchSchema ?
P53779  (MK10_HUMAN) -  Mitogen-activated protein kinase 10
464 a.a.
332 a.a.
Key:    PfamA domain  Secondary structure  CATH domain

 Enzyme reactions 
   Enzyme class: E.C.  - Mitogen-activated protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
+ protein
+ phosphoprotein
Molecule diagrams generated from .mol files obtained from the KEGG ftp site
 Gene Ontology (GO) functional annotation 
  GO annot!
  Biological process     protein phosphorylation   1 term 
  Biochemical function     transferase activity, transferring phosphorus-containing groups     5 terms  


DOI no: 10.1016/j.bmcl.2008.04.039 Bioorg Med Chem Lett 18:3291-3295 (2008)
PubMed id: 18482836  
IRAK-4 inhibitors. Part II: a structure-based assessment of imidazo[1,2-a]pyridine binding.
G.M.Buckley, T.A.Ceska, J.L.Fraser, L.Gowers, C.R.Groom, A.P.Higueruelo, K.Jenkins, S.R.Mack, T.Morgan, D.M.Parry, W.R.Pitt, O.Rausch, M.D.Richard, V.Sabin.
A potent IRAK-4 inhibitor was identified through routine project cross screening. The binding mode was inferred using a combination of in silico docking into an IRAK-4 homology model, surrogate crystal structure analysis and chemical analogue SAR.

Literature references that cite this PDB file's key reference

  PubMed id Reference
19217386 T.Schwede, A.Sali, B.Honig, M.Levitt, H.M.Berman, D.Jones, S.E.Brenner, S.K.Burley, R.Das, N.V.Dokholyan, R.L.Dunbrack, K.Fidelis, A.Fiser, A.Godzik, Y.J.Huang, C.Humblet, M.P.Jacobson, A.Joachimiak, S.R.Krystek, T.Kortemme, A.Kryshtafovych, G.T.Montelione, J.Moult, D.Murray, R.Sanchez, T.R.Sosnick, D.M.Standley, T.Stouch, S.Vajda, M.Vasquez, J.D.Westbrook, and I.A.Wilson (2009).
Outcome of a workshop on applications of protein models in biomedical research.
  Structure, 17, 151-159.  
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