spacer
spacer

PDBsum entry 4e6d
Go to PDB code: 
protein ligands Protein-protein interface(s) links
Transferase/transferase inhibitor PDB id
4e6d

 

 

 

 

Loading ...

 
JSmol PyMol  
Contents
Protein chain
288 a.a.
Ligands
0NU ×2
GOL
Waters ×308
PDB id:
4e6d
Name: Transferase/transferase inhibitor
Title: Jak2 kinase (jh1 domain) triple mutant in complex with compound 7
Structure: Tyrosine-protein kinase jak2. Chain: a, b. Fragment: kinase domain, unp residues 835-1132. Synonym: janus kinase 2, jak-2. Engineered: yes. Mutation: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: jak2. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
2.22Å     R-factor:   0.162     R-free:   0.203
Authors: J.M.Murray
Key ref: J.J.Kulagowski et al. (2012). Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors. J Med Chem, 55, 5901-5921. PubMed id: 22591402
Date:
15-Mar-12     Release date:   30-May-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chains
Pfam   ArchSchema ?
O60674  (JAK2_HUMAN) -  Tyrosine-protein kinase JAK2 from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		 
Seq:
Struc: 		1132 a.a.
288 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 3 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: E.C.2.7.10.2  - non-specific protein-tyrosine kinase.
[IntEnz]   [ExPASy]   [KEGG]   [BRENDA]
      Reaction: L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H+
L-tyrosyl-[protein]
 + ATP
 = O-phospho-L-tyrosyl-[protein]
 + ADP
 + H(+)
Molecule diagrams generated from .mol files obtained from the KEGG ftp site

 

 
    Added reference    
 
 
J Med Chem 55:5901-5921 (2012)
PubMed id: 22591402  
 
 
Identification of imidazo-pyrrolopyridines as novel and potent JAK1 inhibitors.
J.J.Kulagowski, W.Blair, R.J.Bull, C.Chang, G.Deshmukh, H.J.Dyke, C.Eigenbrot, N.Ghilardi, P.Gibbons, T.K.Harrison, P.R.Hewitt, M.Liimatta, C.A.Hurley, A.Johnson, T.Johnson, J.R.Kenny, P.Bir Kohli, R.J.Maxey, R.Mendonca, K.Mortara, J.Murray, R.Narukulla, S.Shia, M.Steffek, S.Ubhayakar, M.Ultsch, A.van Abbema, S.I.Ward, B.Waszkowycz, M.Zak.
 
  ABSTRACT  
 
No abstract given.

 

Literature references that cite this PDB file's key reference

  PubMed id Reference
23125814 E.Pfaffenrot, D.Schollmeyer, and S.Laufer (2012).
1-[(3RS,4RS)-1-Benzyl-4-methyl-piperi-din-3-yl]-1,6-dihydro-imidazo[4,5-d]pyrrolo-[2,3-b]pyridine hemihydrate.
  Acta Crystallogr Sect E Struct Rep Online, 68, o3052.  
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.

 

spacer
spacer