spacer
spacer

PDBsum entry 3roc

Go to PDB code: 
protein ligands links
Transferase/transferase inhibitor PDB id
3roc
Jmol
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     cell   8 terms 
  Biological process     intracellular signal transduction   71 terms 
  Biochemical function     nucleotide binding     11 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.