Structure of PDB 4ppa Chain B

Receptor sequence
>4ppaB (length=239) Species: 9606 (Homo sapiens) [Search protein sequence]
SVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIEDFIEEAEVMMK
LSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGM
CLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGPVKWASPEVF
SFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKP
RLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
3D structure
PDB4ppa Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
ChainB
Resolution2.67 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D482 A484 R486 N487 D500 P521
Catalytic site (residue number reindexed from 1) D120 A122 R124 N125 D138 P141
Enzyme Commision number 2.7.10.2: non-specific protein-tyrosine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 2VU B I369 V377 I14 V22 BindingDB: IC50=210nM,Ki=1.1nM
BS02 2VU B A389 K391 F435 E436 F437 M438 E439 G441 L489 D500 A34 K36 F73 E74 F75 M76 E77 G79 L127 D138 BindingDB: IC50=210nM,Ki=1.1nM
Gene Ontology
Molecular Function
GO:0004672 protein kinase activity
GO:0004713 protein tyrosine kinase activity
GO:0004715 non-membrane spanning protein tyrosine kinase activity
GO:0005524 ATP binding
Biological Process
GO:0006468 protein phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:4ppa, PDBe:4ppa, PDBj:4ppa
PDBsum4ppa
PubMed24767842
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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