4PPB

ITK kinase domain with compound 28 (N-{1-[(1S)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Tyrosine-protein kinase ITK/TSK	polymer	266	30214.5	2	UniProt (Q08881) Pfam (PF07714) In PDB	Homo sapiens (human)	Interleukin-2-inducible T-cell kinase, IL-2-inducible T-cell kinase, Kinase EMT, T-cell-specific kinase, Tyrosine-protein kinase Lyk
2	A, B	N-{1-[(1S)-3-(dimethylamino)-1-phenylpropyl]-1H-pyrazol-4-yl}-6-(1H-pyrazol-4-yl)-1H-indazole-3-carboxamide	non-polymer		454.5	2	Chemie (2VV)

Sequence modifications

A, B: 357 - 620 (UniProt: Q08881)

PDB	External Database	Details
Gly 355	-	expression tag
Ser 356	-	expression tag
Glu 512	Tyr 512	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60429.0
Non-Polymers*	Number of molecules	2
	Total formula weight	909.1
All*	Total formula weight	61338.0

*Water molecules are not included.