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. 2017 Dec 12;7:17405. doi: 10.1038/s41598-017-17703-5

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© The Author(s) 2017

Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.

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Itk adopts a Src-like autoinhibited conformation. (a) Competition nucleotide displacement assay for Src^32KΔC. 40 μM Src^32KΔC was incubated with 40 μM Mant-ADP until equilibrium was established. Unlabelled ADP or AMPPNP was titrated into the reaction and fluorescence anisotropy monitored. AMPPNP binds to Src^32K with 23-fold weaker affinity than ADP. (b) Small angle X-ray scattering curves for Itk^32K (cyan), Src^32K (magenta), Src^32KΔC (blue), and Src^32K R175L (green). (c) Pair distribution functions for Itk^32K (cyan), Src^32K (magenta), Src^32KΔC (blue), and Src^32K R175L (green) indicate that the particles exhibit almost identical radii of gyration and maximum dimensions. (d) Table of physical parameters obtained from the scattering curves for Itk^32K, Src^32K, Src^32KΔC, and Src^32K R175L. (e)Ab initio model of Itk^32K and docking of autoinhibited Src (2SRC.pdb) into the molecular envelope. Two orientations of the envelope are shown for clarity. (f) Ab initio molecular envelope for Src^32KΔC illustrates the fit of the crystal structure of autoinhibited Src.