Het-PDB Navi2 (PDB: 4PPC)

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Ligands
Code	Name		Style	Show	Link
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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Download interaction data: 4PPC

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

Chain :

A, B

UniProt :

Q08881 (ITK_HUMAN)

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

PDB ID: 4PPC