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PDBsum entry 3v8t
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protein ligands Protein-protein interface(s) links
Transferase/transferase inhibitor PDB id
3v8t

 

 

 

 

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Contents
Protein chains
238 a.a.
244 a.a.
Ligands
477 ×2
SO4
Waters ×276
PDB id:
3v8t
Name: Transferase/transferase inhibitor
Title: Crystal structure of interleukin-2 inducible t-cell kinase itk catalytic domain with thienopyrazolylindole inhibitor 477
Structure: Tyrosine-protein kinase itk/tsk. Chain: a, b. Fragment: unp residues 357-620. Synonym: interleukin-2-inducible t cell kinase, il-2-inducible t cell kinase, kinase emt, t-cell-specific kinase, tyrosine-protein kinase lyk. Engineered: yes
Source: Homo sapiens. Human. Organism_taxid: 9606. Gene: itk, emt, lyk. Expressed in: spodoptera frugiperda. Expression_system_taxid: 7108.
Resolution:
2.00Å     R-factor:   0.221     R-free:   0.248
Authors: L.R.Mclean,Y.Zhang
Key ref: L.R.McLean et al. (2012). X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase. Bioorg Med Chem Lett, 22, 3296-3300. PubMed id: 22464456
Date:
23-Dec-11     Release date:   02-May-12    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
Pfam   ArchSchema ?
Q08881  (ITK_HUMAN) -  Tyrosine-protein kinase ITK/TSK from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		620 a.a.
238 a.a.*
Protein chain
Pfam   ArchSchema ?
Q08881  (ITK_HUMAN) -  Tyrosine-protein kinase ITK/TSK from Homo sapiens
Seq:
Struc: 		 
Seq:
Struc: 		620 a.a.
244 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 4 residue positions (black crosses)

 Enzyme reactions 
   Enzyme class: Chains A, B: 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    
 
 
Bioorg Med Chem Lett 22:3296-3300 (2012)
PubMed id: 22464456  
 
 
X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.
L.R.McLean, Y.Zhang, N.Zaidi, X.Bi, R.Wang, R.Dharanipragada, J.G.Jurcak, T.A.Gillespy, Z.Zhao, K.Y.Musick, Y.M.Choi, M.Barrague, J.Peppard, M.Smicker, M.Duguid, A.Parkar, J.Fordham, D.Kominos.
 
  ABSTRACT  
 
No abstract given.

 

 

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