Structural characterisation of PinA WW domain and a comparison with other group IV WW domains, Pin1 and Ess1 |
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Authors: | Ng Chai Ann Kato Yusuke Tanokura Masaru Brownlee Robert T C |
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Institution: | Department of Chemistry, La Trobe University, VIC 3086, Australia. |
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Abstract: | The NMR solution structure of the PinA WW domain from Aspergillus nidulans is presented. The backbone of the PinA WW domain is composed of a triple-stranded anti-parallel beta-sheet and an alpha-helix similar to Ess1 and Pin1 without the alpha-helix linker. Large RMS deviations in Loop I were observed both from the NMR structures and molecular dynamics simulation suggest that the Loop I of PinA WW domain is flexible and solvent accessible, thus enabling it to bind the pS/pT-P motif. The WW domain in this structure are stabilised by a hydrophobic core. It is shown that the linker flexibility of PinA is restricted because of an alpha-helical structure in the linker region. The combination of NMR structural data and detailed Molecular Dynamics simulations enables a comprehensive structural and dynamic understanding of this protein. |
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