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PDBsum entry 3cgf

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protein ligands links
Transferase PDB id
3cgf
Jmol
Contents
Protein chain
346 a.a. *
Ligands
JNF
* Residue conservation analysis
PDB id:
3cgf
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
Resolution:
3.00Å     R-factor:   0.225     R-free:   0.317
Authors: T.A.Ceska,A.Platt,M.Fortunato,K.M.Dickson,G.Buckley
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
Date:
05-Mar-08     Release date:   03-Jun-08    
PROCHECK
Go to PROCHECK summary
 Headers
 References

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

 Enzyme reactions 
   Enzyme class: E.C.2.7.11.24  - Mitogen-activated protein kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: ATP + a protein = ADP + a phosphoprotein
ATP
+ protein
= ADP
+ 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  

 

 
    reference    
 
 
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.
 
  ABSTRACT  
 
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.  
The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time.