Structure of PDB 4ppc Chain A

Receptor sequence
>4ppcA (length=233) Species: 9606 (Homo sapiens) [Search protein sequence]
SVIDPSELTFVQEIGSGGLVHLGYWLNKDKVAIKTIIEEAEVMMKLSHPK
LVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVC
EGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFPVKWASPEVFSFSRYS
SKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTH
VYQIMNHCWKERPEDRPAFSRLLRQLAEIAESG
3D structure
PDB4ppc Discovery and optimization of indazoles as potent and selective interleukin-2 inducible T cell kinase (ITK) inhibitors.
ChainA
Resolution2.95 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) D482 A484 R486 N487 D500 P521
Catalytic site (residue number reindexed from 1) D115 A117 R119 N120 D133 P135
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 2VW A A389 K391 F435 E436 F437 M438 E439 G441 L489 D500 A32 K34 F68 E69 F70 M71 E72 G74 L122 D133 PDBbind-CN: -logKd/Ki=9.03,Ki=0.93nM
BindingDB: Ki=0.930000nM
BS02 2VW A Q367 I369 V377 Q12 I14 V20 PDBbind-CN: -logKd/Ki=9.03,Ki=0.93nM
BindingDB: Ki=0.930000nM
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:4ppc, PDBe:4ppc, PDBj:4ppc
PDBsum4ppc
PubMed24767842
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

[Back to BioLiP]