3qgy Summary

pdbe.org/3qgy
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Crystal structure of ITK inhibitor complex

The structure was published by Charrier, J.D., Miller, A., Kay, D.P., et al., Brown, K., Curnock, A.P., and Jimenez, J.M., in 2011 in a paper entitled "Discovery and structure-activity relationship of 3-aminopyrid-2-ones as potent and selective interleukin-2 inducible T-cell kinase (Itk) inhibitors" (abstract).

This crystal structure was determined using X-ray diffraction at a resolution of 2.1 Å and deposited in 2011.

The experimental data on which the structure is based was also deposited.

This PDB entry contains multiple copies of the structure of Tyrosine-protein kinase ITK/TSK.

It also contains one or more heterogenic compounds (e.g., ligands, co-factors, ions, modified amino acids, etc.); see here for a complete list.

The molecule has more than one probable quaternary state observed. For more details see the quaternary structure page.

The following tables show cross-reference information to other databases (to obtain a list of all PDB entries sharing the same property or classification, click on the magnifying glass icon):


Chain Name UniProt Name of source organism % of UniProt sequence present in the sample Residues in the sample molecules % of residues observed
A Tyrosine-protein kinase ITK/TSK Q08881 (357-620) (ITK_HUMAN)search Homo sapienssearch < 90% 286 86%
B Tyrosine-protein kinase ITK/TSK Q08881 (357-620) (ITK_HUMAN)search Homo sapienssearch < 90% 286 86%


This entry contains 1 unique UniProt protein:

UniProt accession Name Organism PDB
Q08881 (357 - 620) Tyrosine-protein kinase ITK/TSK Homo sapiens

Chain Structural classification (CATH) Sequence family (Pfam)
A, B Phosphorylase Kinase; domain 1search, Transferase(Phosphotransferase) domain 1search Protein tyrosine kinasesearch

Chain ID Molecular function (GO) Biological process (GO)
A, B (Q08881) protein kinase activitysearch protein tyrosine kinase activitysearch ATP bindingsearch transferase activity, transferring phosphorus-containing groupssearch protein phosphorylationsearch

Chain InterPro annotation
A, B Protein kinase domainsearch Serine-threonine/tyrosine-protein kinase catalytic domainsearch Tyrosine-protein kinase, active sitesearch Protein kinase-like domainsearch Protein kinase, ATP binding sitesearch Tyrosine-protein kinase, catalytic domainsearch