Brand  (β version)

PDB ID: 3V8W

Hetero Atom Contents

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
0G2 3-[2-(5-phenyl-2h-thieno[3,2-C]pyrazol-3-yl)-1h-indol-6-yl]pentan-3-ol PoSSuM
SO4 Sulfate ion PoSSuM

Structure summary

Code : 3V8W   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 469
Release Data : 2012-05-02
Compound :
mol_id molecule chains synonym
1 Tyrosine-protein kinase ITK/TSK A,B Interleukin-2-inducible T cell kinase, IL-2-inducible T cell kinase, Kinase EMT, T-cell-specific kinase, Tyrosine-protein kinase Lyk
ec: 2.7.10.2
fragment: unp residues 357-620
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: ITK, EMT, LYK
Authors : McLean, L.R., Zhang, Y.
Keywords : kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.2700 Å )
Citation :

X-ray crystallographic structure-based design of selective thienopyrazole inhibitors for interleukin-2-inducible tyrosine kinase.

McLean, L.R.,Zhang, Y.,Zaidi, N.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 3296 - 3300

PubMed: 22464456
DOI: 10.1016/j.bmcl.2012.03.016

Reaction

Chain : A, B
UniProt : Q08881 (ITK_HUMAN)
Reaction : Reaction=ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein]; Xref=Rhea:RHEA:10596, Rhea:RHEA-COMP:10136, Rhea:RHEA- COMP:10137, ChEBI:CHEBI:15378, ChEBI:CHEBI:30616, ChEBI:CHEBI:46858, ChEBI:CHEBI:82620, ChEBI:CHEBI:456216; EC=2.7.10.2; Evidence={ECO:0000255|PROSITE-ProRule:PRU10028};