Structure of PDB 4mf0 Chain A

Receptor sequence
>4mf0A (length=240) Species: 9606 (Homo sapiens) [Search protein sequence]
VIDPSELTFVQEIGSGLVHLGYWLNKDKVAIKTIMSEEDFIEEAEVMMKL
SHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMC
LDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTPVKWASPEV
FSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYK
PRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
3D structure
PDB4mf0 Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
ChainA
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) 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 29Z A A389 K391 F435 F437 M438 G441 L489 S499 A30 K32 F72 F74 M75 G78 L126 S136 PDBbind-CN: -logKd/Ki=8.08,Ki=8.4nM
BindingDB: Ki=8.4nM,IC50=10000nM
BS02 29Z A I369 L379 I13 L20 PDBbind-CN: -logKd/Ki=8.08,Ki=8.4nM
BindingDB: Ki=8.4nM,IC50=10000nM
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:4mf0, PDBe:4mf0, PDBj:4mf0
PDBsum4mf0
PubMed24138940
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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