Structure of PDB 4qd6 Chain B

Receptor sequence
>4qd6B (length=243) Species: 9606 (Homo sapiens) [Search protein sequence]
GSVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIEEDFIEEAEVM
MKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLL
GMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTPVKWAS
PEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFR
LYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
3D structure
PDB4qd6 Design, synthesis and structure-activity relationships of a novel class of sulfonylpyridine inhibitors of Interleukin-2 inducible T-cell kinase (ITK).
ChainB
Resolution2.45 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) D122 A124 R126 N127 D140 P145
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 30T B F435 E436 F437 M438 G441 L489 F75 E76 F77 M78 G81 L129 MOAD: Ki=2.3nM
BindingDB: Ki=2.3nM
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:4qd6, PDBe:4qd6, PDBj:4qd6
PDBsum4qd6
PubMed25455497
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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