Structure of PDB 4mf1 Chain A

Receptor sequence
>4mf1A (length=243) Species: 9606 (Homo sapiens) [Search protein sequence]
GSVIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIAMSEEDFIEEAEV
MMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETL
LGMCLDVCEGMAYLEEASVIHRDLAARNCLVGENQVIKVSDFGMPVKWAS
PEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFR
LYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAAIAASG
3D structure
PDB4mf1 Structure-based design and synthesis of potent benzothiazole inhibitors of interleukin-2 inducible T cell kinase (ITK).
ChainA
Resolution2.113 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) D123 A125 R127 N128 D141 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 29Y A I369 A389 K391 F435 F437 M438 E439 G441 L489 S499 I15 A33 K35 F76 F78 M79 E80 G82 L130 S140 MOAD: Ki=0.7nM
PDBbind-CN: -logKd/Ki=9.15,Ki=0.7nM
BindingDB: Ki=0.600000nM,IC50=91nM
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:4mf1, PDBe:4mf1, PDBj:4mf1
PDBsum4mf1
PubMed24138940
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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