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PDBsum entry 3roc

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protein ligands links
Transferase/transferase inhibitor PDB id
3roc
Jmol PyMol
Contents
Protein chain
337 a.a.
Ligands
29A
29B
Waters ×287
PDB id:
3roc
Name: Transferase/transferase inhibitor
Title: Crystal structure of human p38 alpha complexed with a pyrimi compound
Structure: Mitogen-activated protein kinase 14. Chain: a. Synonym: map kinase 14, mapk 14, cytokine suppressive anti- inflammatory drug-binding protein, csaid-binding protein, c kinase mxi2, max-interacting protein 2, mitogen-activated p kinase p38 alpha, map kinase p38 alpha, sapk2a. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: csbp, csbp1, csbp2, cspb1, mapk14, mxi2, thp-1. Expressed in: escherichia coli. Expression_system_taxid: 562.
Resolution:
1.70Å     R-factor:   0.239     R-free:   0.276
Authors: H.-S.Shieh,L.Xing
Key ref: B.Devadas et al. (2011). Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors. Bioorg Med Chem Lett, 21, 3856-3860. PubMed id: 21620699 DOI: 10.1016/j.bmcl.2011.05.006
Date:
25-Apr-11     Release date:   15-Jun-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q16539  (MK14_HUMAN) -  Mitogen-activated protein kinase 14
Seq:
Struc:
360 a.a.
337 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!
  Cellular component     extracellular region   12 terms 
  Biological process     intracellular signal transduction   65 terms 
  Biochemical function     nucleotide binding     13 terms  

 

 
    reference    
 
 
DOI no: 10.1016/j.bmcl.2011.05.006 Bioorg Med Chem Lett 21:3856-3860 (2011)
PubMed id: 21620699  
 
 
Substituted N-aryl-6-pyrimidinones: a new class of potent, selective, and orally active p38 MAP kinase inhibitors.
B.Devadas, S.R.Selness, L.Xing, H.M.Madsen, L.D.Marrufo, H.Shieh, D.M.Messing, J.Z.Yang, H.M.Morgan, G.D.Anderson, E.G.Webb, J.Zhang, R.V.Devraj, J.B.Monahan.
 
  ABSTRACT  
 
No abstract given.

 

 

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