Brand  (β version)

PDB ID: 4PPC

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2VW N-{1-[(1r)-3-(dimethylamino)-1-phenylpropyl]-1h-pyrazol-4-yl}-6-(1h-pyrazol-4-yl)-1h-indazole-3-carboxamide PoSSuM

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Structure summary

Code : 4PPC   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Release Data : 2014-06-04
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: kinase domain
mutation: Y512E
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: ITK, EMT, LYK
Authors : Eigenbrot, C., Shia, S.
Keywords : protein kinase, phospho-transfer, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.95 Å )
Citation :

Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.

Pastor, R.M.,Burch, J.D.,Magnuson, S.  et al.
(2014)  Bioorg.Med.Chem.Lett.  24 : 2448 - 2452

PubMed: 24767842
DOI: 10.1016/j.bmcl.2014.04.023

Reaction

Chain : A, B
UniProt : Q08881 (ITK_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-tyrosyl-[protein] + ATP = O-phospho-L-tyrosyl-[protein] + ADP + H(+) 2.7.10.2 PROSITE-ProRule:PRU10028
-
Cofactor: Evidence: Note:
Zn(2+) ECO:0000250
Binds 1 zinc ion per subunit.