Structure of PDB 4pqn Chain A

Receptor sequence
>4pqnA (length=240) Species: 9606 (Homo sapiens) [Search protein sequence]
VIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAE
VMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAET
LLGMCLDVCEGMAYLEEASVIHRDLAARNCLVGENQVIKVSDFGFPVKWA
SPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGF
RLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAAI
3D structure
PDB4pqn Property- and structure-guided discovery of a tetrahydroindazole series of interleukin-2 inducible T-cell kinase inhibitors.
ChainA
Resolution1.71 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) D124 A126 R128 N129 D142 P146
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 2W6 A I369 A389 F435 E436 F437 M438 E439 H440 G441 L489 I13 A31 F77 E78 F79 M80 E81 H82 G83 L131 MOAD: Ki=0.7nM
PDBbind-CN: -logKd/Ki=9.15,Ki=0.7nM
BindingDB: IC50=55nM,Ki=0.700000nM
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
View graph for
Biological Process
External links
PDB RCSB:4pqn, PDBe:4pqn, PDBj:4pqn
PDBsum4pqn
PubMed24918870
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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