Structure of PDB 4hct Chain A

Receptor sequence
>4hctA (length=265) Species: 9606 (Homo sapiens) [Search protein sequence]
GKWVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDF
IEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGL
FAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGM
TRFVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFS
EGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWRERPEDRP
AFSRLLRQLAEIAES
3D structure
PDB4hct Covalent inhibitors of interleukin-2 inducible T cell kinase (itk) with nanomolar potency in a whole-blood assay.
ChainA
Resolution1.48 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) D129 A131 R133 N134 D147 P168
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 18R A I369 V377 A389 K391 M398 L433 F435 M438 G441 C442 D445 L489 D500 M503 V507 I16 V24 A36 K38 M45 L80 F82 M85 G88 C89 D92 L136 D147 M150 V154 PDBbind-CN: -logKd/Ki=7.14,IC50=0.073uM
BindingDB: IC50=10nM
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4hct, PDBe:4hct, PDBj:4hct
PDBsum4hct
PubMed23098091
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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