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PDBsum entry 3pze

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protein ligands links
Transferase/transferase inhibitor PDB id
3pze
Jmol
Contents
Protein chain
347 a.a.
Ligands
SO4 ×4
CFK
Waters ×177
PDB id:
3pze
Name: Transferase/transferase inhibitor
Title: Jnk1 in complex with inhibitor
Structure: Mitogen-activated protein kinase 8. Chain: a. Fragment: unp residues 7-364. Synonym: map kinase 8, mapk 8, jnk-46, stress-activated pro kinase 1, stress-activated protein kinase jnk1, c-jun n-ter kinase 1. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: mapk8, jnk1, prkm8, sapk1. Expressed in: escherichia coli. Expression_system_taxid: 562
Resolution:
2.00Å     R-factor:   0.206     R-free:   0.240
Authors: Y.Xue
Key ref: V.Oza et al. (2012). Discovery of checkpoint kinase inhibitor (S)-5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by structure-based design and optimization of thiophenecarboxamide ureas. J Med Chem, 55, 5130-5142. PubMed id: 22551018 DOI: 10.1021/jm300025r
Date:
14-Dec-10     Release date:   14-Dec-11    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
P45983  (MK08_HUMAN) -  Mitogen-activated protein kinase 8
Seq:
Struc:
427 a.a.
347 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: 10.1021/jm300025r J Med Chem 55:5130-5142 (2012)
PubMed id: 22551018  
 
 
Discovery of checkpoint kinase inhibitor (S)-5-(3-fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide (AZD7762) by structure-based design and optimization of thiophenecarboxamide ureas.
V.Oza, S.Ashwell, L.Almeida, P.Brassil, J.Breed, C.Deng, T.Gero, M.Grondine, C.Horn, S.Ioannidis, D.Liu, P.Lyne, N.Newcombe, M.Pass, J.Read, S.Ready, S.Rowsell, M.Su, D.Toader, M.Vasbinder, D.Yu, Y.Yu, Y.Xue, S.Zabludoff, J.Janetka.
 
  ABSTRACT  
 
No abstract given.