Structure of PDB 4m0y Chain A

Receptor sequence
>4m0yA (length=263) Species: 9606 (Homo sapiens) [Search protein sequence]
WVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIE
EAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFA
AETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTR
FVLDDQYTSSTGTKFPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEG
KIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWRERPEDRPAF
SRLLRQLAEIAES
3D structure
PDB4m0y Selectively targeting an inactive conformation of interleukin-2-inducible T-cell kinase by allosteric inhibitors.
ChainA
Resolution1.7 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 M0Y A G370 S371 G372 V377 A389 F437 M438 E439 G441 C442 L489 G15 S16 G17 V22 A34 F82 M83 E84 G86 C87 L134 MOAD: Kd=0.35uM
PDBbind-CN: -logKd/Ki=6.46,Kd=0.35uM
BS02 M0Y A F403 A407 M410 M411 V419 L421 F435 S499 D500 F501 F506 F48 A52 M55 M56 V64 L66 F80 S144 D145 F146 F151 MOAD: Kd=0.35uM
PDBbind-CN: -logKd/Ki=6.46,Kd=0.35uM
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:4m0y, PDBe:4m0y, PDBj:4m0y
PDBsum4m0y
PubMed24593284
UniProtQ08881|ITK_HUMAN Tyrosine-protein kinase ITK/TSK (Gene Name=ITK)

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