Structure of PDB 4kio Chain A

Receptor sequence
>4kioA (length=240) Species: 9606 (Homo sapiens) [Search protein sequence]
GSVIDPSELTFVQEIGSGLVHLGYWLNKDKVAIKTIEEDFIEEAEVMMKL
SHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMC
LDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTPVKWASPEV
FSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYK
PRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
3D structure
PDB4kio Discovery of novel irreversible inhibitors of interleukin (IL)-2-inducible tyrosine kinase (Itk) by targeting cysteine 442 in the ATP pocket.
ChainA
Resolution2.18 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) D119 A121 R123 N124 D137 P142
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 G5K A I369 A389 F435 F437 M438 G441 C442 L489 I15 A32 F72 F74 M75 G78 C79 L126 MOAD: ic50=0.5uM
PDBbind-CN: -logKd/Ki=6.30,IC50=0.501uM
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:4kio, PDBe:4kio, PDBj:4kio
PDBsum4kio
PubMed23935099
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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