Structure of PDB 3t9t Chain A

Receptor sequence
>3t9tA (length=263) Species: 9606 (Homo sapiens) [Search protein sequence]
WVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIE
EAEVMMKLSHPKLVQLYGVCLEQAPICLVTEFMEHGCLSDYLRTQRGLFA
AETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTR
FVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEG
KIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWRERPEDRPAF
SRLLRQLAEIAES
3D structure
PDB3t9t Imidazo[1,5-a]quinoxalines as irreversible BTK inhibitors for the treatment of rheumatoid arthritis.
ChainA
Resolution1.65 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) D127 A129 R131 N132 D145 P166
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 IAQ A I369 S371 G372 V377 A389 K391 L433 T435 F437 M438 C442 L489 S499 I14 S16 G17 V22 A34 K36 L78 T80 F82 M83 C87 L134 S144 PDBbind-CN: -logKd/Ki=8.71,IC50=1.93nM
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:3t9t, PDBe:3t9t, PDBj:3t9t
PDBsum3t9t
PubMed21958547
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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